Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | RHEB | Q15382 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL180174 | 0.85 | TSHR (0.47) | TSHRALDH1A1MRGPRX4KDM4EHTR1D | |
| SCHEMBL100191 | 0.83 | TSHR (0.50) | TSHRALDH1A1MRGPRX4KDM4EHTR1D | |
| SCHEMBL6969500 | 0.83 | TSHR (0.45) | TSHRALDH1A1MRGPRX4KDM4EHTR1D | |
| SCHEMBL695666 | 0.83 | PTK2B (0.50) | TSHRALDH1A1KMT2AHTTMEN1 | |
| SCHEMBL31612517 | 0.82 | MAPK1 (0.49) | TSHRALDH1A1MRGPRX4KDM4EHTR1D | |
| SCHEMBL6691258 | 0.82 | MAPK1 (0.49) | TSHRALDH1A1MRGPRX4KDM4EHTR1D | |
| SCHEMBL9283420 | 0.82 | KMT2A (0.45) | TSHRALDH1A1MRGPRX4KDM4EHTR1D | |
| SCHEMBL2849811 | 0.81 | FABP3 (0.47) | TSHRALDH1A1MRGPRX4KDM4EGAA | |
| SCHEMBL19979062 | 0.80 | MRGPRX4 (0.47) | ALDH1A1MRGPRX4KMT2AHTTMEN1 | |
| SCHEMBL10604766 | 0.80 | KMT2A (0.47) | TSHRMRGPRX4KDM4EKMT2AGAA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1858509-A4 | NOVEL CATHEPSIN C INHIBITORS AND THEIR USE | GLAXO GROUP LTD (GB) | 2009-03-18 | — | — | EP | disclosed |
| EP-1858509-A1 | NOVEL CATHEPSIN C INHIBITORS AND THEIR USE | GLAXO GROUP LIMITED (GB) | 2007-11-28 | — | — | EP | disclosed |
| US-7276511-B2 | Benzylamine derivative | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-02 | — | — | US | disclosed |
| US-7276511-B2 | Benzylamine derivative | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-02 | — | — | US | disclosed |
| US-7276511-B2 | Benzylamine derivative | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-02 | — | — | US | disclosed |
| WO-2006094003-A1 | NOVEL CATHEPSIN C INHIBITORS AND THEIR USE | GLAXO GROUP LIMITED (GB) | 2006-09-08 | — | — | WO | disclosed |
| US-20060194841-A1 | E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2006-08-31 | — | — | US | disclosed |
| EP-1650189-A1 | BENZYLAMINE DERIVATIVE | Zeria Pharmaceutical Co., Ltd. (JP) | 2006-04-26 | — | — | EP | 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 (1 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-20060194841-A1 | E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting | KCNAB1, BDKRB2, ARRB1 | TSHR 766/4885ALDH1A1 1065/4885MRGPRX4 213/4885 |
“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.