Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | STK17B | O94768 | 1/20 | 0.30 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29594217 | 1.00 | P2RX3 (0.38) | P2RX3GPBAR1ABL1CNR2PAX8 | |
| SCHEMBL12439073 | 0.86 | GPBAR1 (0.41) | P2RX3GPBAR1ABL1PAX8GRM5 | |
| SCHEMBL12097853 | 0.84 | IRAK4 (0.36) | P2RX3GPBAR1ABL1PAX8IRAK4 | |
| SCHEMBL29920335 | 0.83 | P2RX3 (0.32) | P2RX3CNR2STK17BSTK17AALDH1A1 | |
| SCHEMBL3629295 | 0.83 | P2RX3 (0.32) | P2RX3CNR2STK17BSTK17AALDH1A1 | |
| SCHEMBL1397623 | 0.82 | P2RX3 (0.38) | P2RX3GPBAR1ABL1PAX8GRM5 | |
| SCHEMBL12154830 | 0.80 | ATR (0.43) | P2RX3GPBAR1ABL1GRM5LMNA | |
| SCHEMBL31700625 | 0.80 | P2RX3 (0.38) | P2RX3GPBAR1ABL1PAX8GRM5 | |
| SCHEMBL14871661 | 0.79 | GPBAR1 (0.39) | GPBAR1KMT2AALDH1A1 | |
| SCHEMBL12101582 | 0.77 | P2RX3 (0.39) | P2RX3GPBAR1ABL1LMNASTK17B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220401463-A1 | SUBSTITUTED 4-PHENYL-PYRIDINES | HELSINN HEALTHCARE SA (CH) | 2022-12-22 | — | — | US | disclosed |
| US-11312698-B2 | Fosnetupitant chloride hydrochloride having improved stability | HELSINN HEALTHCARE SA (CH) | 2022-04-26 | — | — | US | disclosed |
| US-20200399240-A1 | SUBSTITUTED 4-PHENYL-PYRIDINES | HELSINN HEALTHCARE SA (CH) | 2020-12-24 | — | — | US | disclosed |
| US-10717721-B2 | Substituted piperaziniums for the treatment of emesis | HELSINN HEALTHCARE SA (CH) | 2020-07-21 | — | — | US | disclosed |
| US-20190177296-A1 | SOLUTION COMPRISING THE CHLORIDE HYDROCHLORIDE SALT OF 4-(5-(2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N,2-DIMETHYLPROPANAMIDO)-4-(o-TOLYL)PYRIDIN-2-YL)-1-METHYL-1-((PHOSPHONOOXY)METHYL)PIPERAZIN-1-IUM (FOSNETUPITANT) AND PALONOSETRON HYDROCHLORIDE IN COMBINATION WITH DEXAMETHASONE AS A NEUROKININ RECEPTOR MODULATOR | HELSINN HEALTHCARE SA (CH) | 2019-06-13 | — | — | US | disclosed |
| CN-106414406-B | Cyclohexylmethylpyridine derivative | 橘生药品工业株式会社 | 2019-04-16 | — | — | CN | disclosed |
| US-10208073-B2 | Solution comprising the chloride hydrochloride salt of 4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-IUM-(fosnetupitant) and palonosetron hydrochloride in combination with dexamethasone as a neurokinin receptor modulator | HELSINN HEALTHCARE SA (CH) | 2019-02-19 | — | — | US | disclosed |
| US-10100030-B2 | Carboxymethyl piperidine derivative | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2018-10-16 | — | — | US | disclosed |
| EP-3141541-B1 | CYCLOHEXYL-PYRIDINE DERIVATIVE | KISSEI PHARMACEUTICAL (JP) | 2018-09-26 | — | — | EP | disclosed |
| US-20180194788-A1 | SUBSTITUTED 4-PHENYL-PYRIDINES | HELSINN HEALTHCARE SA (CH) | 2018-07-12 | — | — | US | disclosed |
| US-20070219261-A1 | Anthranilamide and 2-amino-heteroarene-carboxamide compounds | HOFFMANN-LA ROCHE INC. | 2007-09-20 | — | — | US | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| US-20070185113-A1 | Heteroaryl and benzyl amide compounds | HOFFMANN-LA ROCHE INC. | 2007-08-09 | — | — | US | disclosed |
| EP-1776117-A1 | DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA | F.HOFFMANN-LA ROCHE AG (CH) | 2007-04-25 | — | — | EP | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20060030600-A1 | Dual NK1/NK3 receptor antagonists for the treatment of schizophrenia | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | US | disclosed |
| WO-2006013050-A1 | DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | WO | disclosed |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | US | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | TACR2, TAC3, TACR1 | P2RX3 220/4885GPBAR1 313/4885ABL1 996/4885 |
| US-11312698-B2 | Fosnetupitant chloride hydrochloride having improved stability | FOS, FOSB, CLCN2 | P2RX3 464/4885GPBAR1 1531/4885ABL1 1218/4885 |
| US-20200399240-A1 | SUBSTITUTED 4-PHENYL-PYRIDINES | BDKRB2, BDKRB1, TACR1 | P2RX3 105/4885GPBAR1 40/4885ABL1 1563/4885 |
| US-20180194788-A1 | SUBSTITUTED 4-PHENYL-PYRIDINES | BDKRB2, BDKRB1, TACR1 | P2RX3 105/4885GPBAR1 40/4885ABL1 1563/4885 |
| US-20220401463-A1 | SUBSTITUTED 4-PHENYL-PYRIDINES | BDKRB2, BDKRB1, TACR1 | P2RX3 105/4885GPBAR1 40/4885ABL1 1563/4885 |
| US-20060030600-A1 | Dual NK1/NK3 receptor antagonists for the treatment of schizophrenia | TACR2, TACR1, TAC3 | P2RX3 281/4885GPBAR1 211/4885ABL1 1431/4885 |
| US-20070219261-A1 | Anthranilamide and 2-amino-heteroarene-carboxamide compounds | AADAT, AAAS, AADAC | P2RX3 1194/4885GPBAR1 1378/4885ABL1 198/4885 |
| US-20070185113-A1 | Heteroaryl and benzyl amide compounds | CYP2C19, CYP2C9, CYP3A43 | P2RX3 2497/4885GPBAR1 391/4885ABL1 99/4885 |
| US-10100030-B2 | Carboxymethyl piperidine derivative | TACR1, CYP3A5, CNR1 | P2RX3 80/4885GPBAR1 281/4885ABL1 2331/4885 |
| US-20190177296-A1 | SOLUTION COMPRISING THE CHLORIDE HYDROCHLORIDE SALT OF 4-(5-(2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N,2-DIMETHYLPROPANAMIDO)-4-(o-TOLYL)PYRIDIN-2-YL)-1-METHYL-1-((PHOSPHONOOXY)METHYL)PIPERAZIN-1-IUM (FOSNETUPITANT) AND PALONOSETRON HYDROCHLORIDE IN COMBINATION WITH DEXAMETHASONE AS A NEUROKININ RECEPTOR MODULATOR | NR3C2, NR3C1, OPRM1 | P2RX3 53/4885GPBAR1 757/4885ABL1 2802/4885 |
| US-10717721-B2 | Substituted piperaziniums for the treatment of emesis | VIPR2, VIPR1, GRPR | P2RX3 133/4885GPBAR1 85/4885ABL1 3402/4885 |
| US-10208073-B2 | Solution comprising the chloride hydrochloride salt of 4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-IUM-(fosnetupitant) and palonosetron hydrochloride in combination with dexamethasone as a neurokinin receptor modulator | OPRM1, MC2R, NR3C1 | P2RX3 104/4885GPBAR1 2498/4885ABL1 2313/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.