Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.88 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.58 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL120088 | 0.94 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30473120 | 0.94 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL29419014 | 0.94 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL27812368 | 0.91 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28301145 | 0.91 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28275760 | 0.91 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28247322 | 0.91 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL4831090 | 0.91 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Phosphine SCHEMBL28126457 | 0.91 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Benzene SCHEMBL27934930 | 0.91 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102712643-B | Modulators of 5-HT receptors and methods of use thereof | ABBVIE (US) | 2015-12-16 | — | — | CN | claimed |
| CN-104860951-A | Modulators of 5-HT receptors and methods of use thereof | AbbVie Deutschland GmbH and Co KG | 2015-08-26 | — | — | CN | claimed |
| CN-103002735-B | Modulators of 5-ht receptors and methods of use thereof | ABBVI CO | 2015-05-20 | — | — | CN | claimed |
| CN-103002735-A | Modulators of 5-ht receptors and methods of use thereof | ABBVI CO | 2013-03-27 | — | — | CN | claimed |
| CN-102712643-A | Modulators of 5-HT receptors and methods of use thereof | ABBOTT LAB | 2012-10-03 | — | — | CN | claimed |
| CN-104193750-B | Suppress mitotic Compounds and methods for by suppressing aurora kinase | 千禧药品公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-105481864-A | Modulators of 5-HT receptors and methods of use thereof | ABBOTT GMBH & CO KG ABBOTT LAB | 2016-04-13 | — | — | CN | disclosed |
| CN-102712643-B | Modulators of 5-HT receptors and methods of use thereof | ABBVIE (US) | 2015-12-16 | — | — | CN | disclosed |
| CN-104860951-A | Modulators of 5-HT receptors and methods of use thereof | AbbVie Deutschland GmbH and Co KG | 2015-08-26 | — | — | CN | disclosed |
| CN-103002735-B | Modulators of 5-ht receptors and methods of use thereof | ABBVI CO | 2015-05-20 | — | — | CN | disclosed |
| CN-103703005-A | Tricyclic inhibitors of kinases | ABBOTT LAB | 2014-04-02 | — | — | CN | disclosed |
| CN-103002735-A | Modulators of 5-ht receptors and methods of use thereof | ABBVI CO | 2013-03-27 | — | — | CN | disclosed |
| US-6211362-B1 | CHEMICAL INTERMEDIATE FOR DRUGS | SUNTORY LIMITED (JP) | 2001-04-03 | — | — | US | disclosed |
| US-6187772-B1 | Pyrroloazepine compounds | SUNTORY LIMITED (JP) | 2001-02-13 | — | — | US | disclosed |
| CN-1219173-A | Pyrroloazepine compounds | SUNTORY LTD (JP) | 1999-06-09 | — | — | CN | disclosed |
| EP-0915881-A1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LIMITED (JP) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998041527-A1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LIMITED (JP) | 1998-09-24 | — | — | WO | disclosed |
| EP-0807632-A1 | PYRROLOAZEPINE DERIVATIVES | SUNTORY LIMITED (JP) | 1997-11-19 | — | — | EP | disclosed |
| EP-0677524-A1 | Thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine derivatives as PAF antagonists | Eisai Co., Ltd. (JP) | 1995-10-18 | — | — | EP | disclosed |
| EP-0606103-A1 | Thieno 3.2-f 1,2,4 triazolo 4,3-a 1,4 -diazepine derivatives as PAF antagonists | Eisai Co., Ltd. (JP) | 1994-07-13 | — | — | EP | disclosed |