Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21215857 | 0.89 | CYP2A6 (0.69) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL15105728 | 0.89 | CYP2A6 (0.69) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL834744 | 0.89 | CYP2A6 (0.68) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL29451111 | 0.86 | CYP2A6 (0.79) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL599006 | 0.86 | CYP2A6 (0.79) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL3370424 | 0.83 | CYP2A6 (0.88) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL9615655 | 0.83 | LCK (0.64) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL31395459 | 0.83 | CYP2A6 (0.88) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL1553066 | 0.83 | ALDH1A1 (0.69) | CYP2A6HPGDMAPTALDH1A1RAB9A | |
| SCHEMBL16486834 | 0.83 | KDM4E (0.60) | CYP2A6ALDH1A1RAB9ANPC1KDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5138098-A | Catalytic actlation using complexing agent | AMOCO CORPORATION (US) | 1992-08-11 | — | — | US | claimed |
| US-5026917-A | Acetylation of 2-methylnaphthalenes | AMOCO CORPORATION (US) | 1991-06-25 | — | — | US | claimed |
| US-5138098-A | Catalytic actlation using complexing agent | AMOCO CORPORATION (US) | 1992-08-11 | — | — | US | disclosed |
| US-5026917-A | Acetylation of 2-methylnaphthalenes | AMOCO CORPORATION (US) | 1991-06-25 | — | — | US | disclosed |
| US-4879284-A | SKIN DISORDERS | L'OREAL (FR) | 1989-11-07 | — | — | US | disclosed |
| US-4876381-A | Naphthalene derivatives possessing a retinoid-type action, processes for their preparation, and medicinal and cosmetic compositions containing these derivatives | L'OREAL (FR) | 1989-10-24 | — | — | US | disclosed |
| EP-0016587-B1 | 1-((SUBSTITUTED-NAPHTHYL)ETHYL)-IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS OF MAKING THEM | SYNTEX (U.S.A.) INC. (US) | 1985-06-19 | — | — | EP | disclosed |
| US-4423057-A | ANTISECRETORY, ANTICONVULSANT | SYNTEX (U.S.A.) INC. (US) | 1983-12-27 | — | — | US | disclosed |
| US-4277486-A | ANTICONVULSANTS, ANTISECRETORY AGENTS, SPERMATOCIDES | SYNTEX (U.S.A.) INC. (US) | 1981-07-07 | — | — | US | disclosed |