Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.57 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.57 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.57 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.57 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.57 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.57 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.57 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.57 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL4757496 | 0.98 | CYP1A1 (0.61) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL8008145 | 0.87 | — | — | |
| SCHEMBL29374752 | 0.87 | — | — | |
| SCHEMBL156145 | 0.87 | — | — | |
| SCHEMBL196765 | 0.87 | CYP3A4 (0.73) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL29489425 | 0.87 | CYP3A4 (0.73) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL1180763 | 0.86 | ABL1 (0.58) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL1181012 | 0.86 | ABL1 (0.63) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL30996182 | 0.86 | ABL1 (0.63) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL612883 | 0.85 | MAOB (0.59) | CYP3A4CYP1A2MAOBMAPTACHE |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101501061-A | Macrocyclic compounds as antiviral agents | ANGELETTI P IST RICHERCHE BIO (IT) | 2009-08-05 | — | — | CN | disclosed |
| EP-1227086-B1 | 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-03-29 | — | — | EP | disclosed |
| US-6960598-B2 | (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses | MERCK SHARP & DOHME LTD. | 2005-11-01 | — | — | US | disclosed |
| US-6518257-B1 | 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-02-11 | — | — | US | disclosed |
| WO-2003006464-A1 | (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES | MERCK SHARP & DOHME LIMITED (GB) | 2003-01-23 | — | — | WO | disclosed |
| EP-1227086-A1 | 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-07-31 | — | — | EP | disclosed |