Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2640761 | 0.80 | OPRL1 (0.51) | OPRL1TSHRCYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL13229274 | 0.76 | OPRL1 (0.57) | OPRL1TSHRCYP3A4ALDH1A1ALOX15 | |
| SCHEMBL349724 | 0.73 | OPRL1 (0.51) | OPRL1TSHRCYP3A4ALDH1A1ALOX15 | |
| Alcohol SCHEMBL6978627 | 0.73 | OPRL1 (0.47) | OPRL1TSHRCYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL2640857 | 0.73 | OPRL1 (0.46) | OPRL1TSHRALDH1A1CYP2D6 | |
| SCHEMBL2042169 | 0.72 | OPRL1 (0.47) | OPRL1TSHRCYP3A4ALDH1A1ALOX15 | |
| Alcohol SCHEMBL6978770 | 0.72 | OPRL1 (0.46) | OPRL1TSHRCYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL3108383 | 0.71 | DRD2 (0.39) | OPRL1ALDH1A1 | |
| SCHEMBL1356638 | 0.70 | OPRL1 (0.53) | OPRL1TSHRALDH1A1CCR2KCNH2 | |
| SCHEMBL12844429 | 0.70 | OPRL1 (0.44) | OPRL1ALDH1A1CCR2KCNH2 |
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-2569316-A1 | PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143459-A1 | PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2011-11-17 | — | — | WO | disclosed |