Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22471745 | 0.88 | CYP2A6 (0.46) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL5597110 | 0.84 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL22471744 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL28610467 | 0.72 | KDM4E (0.48) | CYP2A6CYP3A4ALDH1A1PTGS2KDM4E | |
| SCHEMBL10205407 | 0.72 | CYP2A6 (0.56) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL16547005 | 0.71 | CYP2A6 (0.65) | CYP2A6CYP3A4MAP2K4ALDH1A1CYP1A2 | |
| SCHEMBL13785072 | 0.70 | CYP11B1 (0.51) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL18434453 | 0.70 | L3MBTL1 (0.57) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL27430951 | 0.69 | CYP2A6 (0.60) | CYP2A6CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10262832 | 0.68 | CYP2A6 (0.65) | CYP2A6CYP3A4MAP2K4ALDH1A1CYP1A2 |
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-1858644-A2 | METHOD FOR ASYMMETRIC HYDROSILYLATION OF KETONES | The Hong Kong Polytechnic University (CN) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006089129-A2 | METHOD FOR ASYMMETRIC HYDROSILYLATION OF KETONES | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2006-08-24 | — | — | WO | disclosed |