Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3023118 | 0.89 | ALDH1A1 (0.54) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL11195270 | 0.89 | HRH3 (0.52) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL10268261 | 0.88 | ALDH1A1 (0.48) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL3035670 | 0.88 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL3035406 | 0.85 | L3MBTL1 (0.57) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL257250 | 0.83 | ALDH1A1 (0.62) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL2150729 | 0.83 | ALDH1A1 (0.53) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL3035383 | 0.82 | SMN1; SMN2 (0.53) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL257492 | 0.82 | RAB9A (0.52) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL3038036 | 0.80 | TSHR (0.45) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4070366-A | RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP | CANADIAN PATENTS & DEVELOPMENT LIMITED (US) | 1978-01-24 | — | — | US | claimed |
| US-4380645-A | ETHERIFICATION, SULFIDING | MERCK & CO., INC. (US) | 1983-04-19 | — | — | 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 |
| US-4070366-A | RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP | CANADIAN PATENTS & DEVELOPMENT LIMITED (US) | 1978-01-24 | — | — | US | disclosed |