Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.59 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10398984 | 0.90 | CYP2A6 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL10398986 | 0.90 | CYP2A6 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL10398983 | 0.90 | CYP2A6 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL10397678 | 0.86 | CYP2A6 (0.58) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL10397677 | 0.86 | CYP2A6 (0.58) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL10397676 | 0.86 | CYP2A6 (0.58) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL7055410 | 0.85 | CYP2A6 (0.53) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL12197999 | 0.82 | CYP2A6 (0.62) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL30938347 | 0.79 | CYP2A6 (0.67) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL2155811 | 0.79 | CYP2A6 (0.67) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1138673-B1 | Novel carbamates and ureas as modifiers of multi-drug resistance | VERTEX PHARMA (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1666053-A1 | Methods and compositions for stimulating neurite growth using compounds with affinity for fkbp12 in combination with neurotrophic factors | Vertex Pharmceuticals Incorporated (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-0872466-B1 | Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates | FABBRICA ITALIANA SINTETICI SPA (IT) | 2002-01-30 | — | — | EP | disclosed |
| EP-0754176-B1 | NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE | VERTEX PHARMA (US) | 2001-12-05 | — | — | EP | disclosed |
| EP-1138673-A2 | Novel carbamates and ureas as modifiers of multi-drug resistance | Vertex Pharmaceuticals Incorporated (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5973157-A | Process for the synthesis of 1,7-diarly or heteroaryl-heptane-4-ols and new synthetic intermediates | F.I.S. FABBRICA ILTALIANA SINTETICI S.P.A. (IT) | 1999-10-26 | — | — | US | disclosed |
| US-5780484-A | Methods for stimulating neurite growth with piperidine compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1998-07-14 | — | — | US | disclosed |
| US-5744485-A | INCREASE SENSITIVITY OF CELLS; CANCER | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1998-04-28 | — | — | US | disclosed |
| EP-0754176-A1 | NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE | Vertex Pharmaceuticals Incorporated (US) | 1997-01-22 | — | — | EP | disclosed |
| WO-1995026337-A1 | NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-10-05 | — | — | WO | disclosed |