Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205491 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11649989 | 0.68 | ALDH1A1 (0.51) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11191069 | 0.68 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11064802 | 0.68 | CA12 (0.41) | LMNAHPGDGAAALDH1A1MAPT | |
| SCHEMBL5443501 | 0.67 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL27034946 | 0.67 | HRH3 (0.50) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL2813572 | 0.66 | CYP4F2 (0.53) | LMNAHPGDNPC1GAAPOLB | |
| SCHEMBL3023118 | 0.66 | ALDH1A1 (0.54) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL10003063 | 0.66 | ALDH1A1 (0.48) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL3152177 | 0.66 | ALDH1A1 (0.47) | CYP1A2CYP2C9CYP2C19LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4440779-A | Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents | MERCK & CO., INC. (US) | 1984-04-03 | — | — | US | disclosed |
| EP-0068460-A1 | Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents | MERCK & CO. INC. (US) | 1983-01-05 | — | — | EP | disclosed |