Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL28610467 | 0.88 | KDM4E (0.48) | CYP2A6ALDH1A1PTGS2CYP3A4KDM4E | |
| SCHEMBL5597112 | 0.84 | CYP2A6 (0.45) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL22471744 | 0.80 | CYP2A6 (0.50) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL4621666 | 0.76 | CYP2A6 (0.64) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL31017586 | 0.76 | CYP2A6 (0.64) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL30026143 | 0.75 | CYP2A6 (0.70) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL20541087 | 0.75 | CYP2A6 (0.70) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL31038075 | 0.75 | PTGS2 (0.56) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL21305225 | 0.74 | CYP11B1 (0.44) | CYP2A6ALDH1A1PTGS2CYP1A2CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115746037-A | Synthetic method of alpha-halogenated borate compound and product thereof | 同济大学 | 2023-03-07 | — | — | CN | claimed |
| CN-111417618-B | Process for preparing enantiomerically and diastereomerically enriched cyclobutane amines and amides | 先正达参股股份有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-115746037-A | Synthetic method of alpha-halogenated borate compound and product thereof | 同济大学 | 2023-03-07 | — | — | CN | disclosed |
| CN-113557227-A | Method for producing prostaglandin | 协和医药化工股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-111417618-A | Process for preparing enantiomerically and diastereomerically enriched cyclobutaneamines and cyclobutaneamides | 先正达参股股份有限公司 | 2020-07-14 | — | — | CN | disclosed |
| 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 |