Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 6/20 | 0.43 |
| ▸ | METAP1 | P53582 | 6/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30861790 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9950211 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL19514728 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9950214 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL12101209 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL24017144 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1835730 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1561677 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL598905 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL2067587 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971595-A2 | CETP INHIBITORS | Merck & Co., Inc. (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007081569-A2 | CETP INHIBITORS | MERCK & CO., INC. (US) | 2007-07-19 | — | — | WO | disclosed |