Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL143348 | 0.80 | CYP2A6 (0.48) | ALDH1A1TSHRKDM4EGAANPC1 | |
| SCHEMBL585950 | 0.80 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9APOLBTDP1 | |
| SCHEMBL9320257 | 0.79 | CA12 (0.41) | ALDH1A1TSHRKDM4EGAANPC1 | |
| SCHEMBL13404760 | 0.79 | PAX8 (0.43) | ALDH1A1TSHRKDM4EGAANPC1 | |
| SCHEMBL5618881 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4EGAANPC1 | |
| SCHEMBL16504670 | 0.76 | PTGS2 (0.55) | ALDH1A1KDM4EERN1NPSR1HSD17B10 | |
| SCHEMBL16504671 | 0.76 | PTGS2 (0.55) | ALDH1A1KDM4EERN1NPSR1HSD17B10 | |
| SCHEMBL18556032 | 0.75 | RAB9A (0.43) | ALDH1A1KDM4EGAANPC1PKM | |
| SCHEMBL2092040 | 0.75 | GPBAR1 (0.48) | ALDH1A1KDM4ENPC1PKMRAB9A | |
| SCHEMBL11723702 | 0.75 | S100B (0.50) | ALDH1A1TSHRKDM4EGAATDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8853218-B2 | Compounds | GLAXO GROUP LIMITED (GB) | 2014-10-07 | — | — | US | disclosed |
| EP-2041093-B1 | PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES | GLAXO GROUP LTD (GB) | 2010-04-21 | — | — | EP | disclosed |
| US-7700599-B2 | G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient | GLAXO GROUP LIMITED (GB) | 2010-04-20 | — | — | US | disclosed |
| US-20090192160-A1 | COMPOUNDS | GLAXO GROUP LIMITED | 2009-07-30 | — | — | US | disclosed |
| EP-2041093-A1 | PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES | Glaxo Group Limited (GB) | 2009-04-01 | — | — | EP | disclosed |
| US-20080027065-A1 | G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient | GLAXO GROUP LIMITED (GB) | 2008-01-31 | — | — | US | disclosed |
| WO-2008000729-A1 | PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES | GLAXO GROUP LIMITED (GB) | 2008-01-03 | — | — | 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 (2 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-20080027065-A1 | G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient | GPR68, GPR88, GPR3 | ALDH1A1 3721/4885TSHR 691/4885KDM4E 2013/4885 |
| US-20090192160-A1 | COMPOUNDS | GPR68, GPR88, GPBAR1 | ALDH1A1 839/4885TSHR 1183/4885KDM4E 4443/4885 |
“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.