Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24999152 | 0.84 | CYP3A4 (0.61) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL10584311 | 0.84 | CYP3A4 (0.50) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL28797337 | 0.84 | CYP3A4 (0.49) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL27337743 | 0.83 | CYP3A4 (0.49) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL10967904 | 0.83 | CYP3A4 (0.41) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL10966469 | 0.83 | CYP3A4 (0.41) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL3975605 | 0.81 | CYP3A4 (0.61) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL9129475 | 0.81 | CYP3A4 (0.53) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL9029718 | 0.79 | GABRP (0.46) | CYP3A4TRPA1MAPK1TDP1GABRA1 | |
| SCHEMBL10963525 | 0.79 | CYP3A4 (0.41) | CYP3A4TRPA1MAPK1TDP1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1861357-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006101318-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |