Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6446439 | 0.80 | CA1 (0.58) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL1900477 | 0.80 | CA1 (0.58) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL1305495 | 0.80 | CA1 (0.58) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL114318 | 0.80 | CA1 (0.58) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL11475903 | 0.80 | CA1 (0.58) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL591062 | 0.80 | CA1 (0.58) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL1900910 | 0.80 | CA1 (0.58) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL120603 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL6023939 | 0.78 | CA1 (0.55) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL56478 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C19CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104382924-B | N6 substituted adenosines derivative and N6 substituted adenines derivatives and application thereof | 中国医学科学院药物研究所 | 2017-12-22 | — | — | CN | disclosed |
| WO-2010046808-A2 | A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE | ALEMBIC LIMITED (IN) | 2010-04-29 | — | — | WO | disclosed |
| WO-2006067808-A1 | AN IMPROVED PROCESS FOR PRODUCTION OF INTERMEDIATE OF ANTIDEPRESSANT AGENT | CALYX CHEMICALS & PHARMACEUTICALS PRIVATE LIMITED (IN) | 2006-06-29 | — | — | WO | disclosed |
| EP-1135358-A1 | DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME | Sepracor Inc. (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000032555-A1 | DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME | SEPRACOR INC. (US) | 2000-06-08 | — | — | WO | disclosed |