Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzofuran SCHEMBL28850951 | 0.84 | CYP2A6 (0.48) | CYP2A6MAOBMAOAFTOKMT2A | |
| SCHEMBL31681671 | 0.83 | MAOB (0.44) | CYP2A6ALDH1A1MAOBMAOAFTO | |
| Benzofuran SCHEMBL22129287 | 0.83 | MAOB (0.44) | CYP2A6ALDH1A1MAOBMAOAFTO | |
| Benzofuran SCHEMBL28138699 | 0.82 | CYP2A6 (0.47) | CYP2A6MAOBMAOAFTOKMT2A | |
| Benzofuran SCHEMBL28203046 | 0.82 | CYP2A6 (0.47) | CYP2A6MAOBMAOAFTOKMT2A | |
| Benzofuran SCHEMBL27437267 | 0.82 | CYP2A6 (0.47) | CYP2A6MAOBMAOAFTOCTNNB1 | |
| Benzofuran SCHEMBL3160534 | 0.81 | — | — | |
| Benzofuran SCHEMBL5564 | 0.81 | — | — | |
| Benzofuran SCHEMBL29393518 | 0.81 | — | — | |
| Benzofuran SCHEMBL5834531 | 0.81 | MAOA (0.46) | CYP2A6MAOBMAOAFTOCTNNB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108164414-A | The synthetic method of high-purity 2- (benzoyl) chlorobenzoyl chloride | 江苏佳麦化工有限公司 | 2018-06-15 | — | — | CN | disclosed |
| CN-105646280-B | Quinone derivative and electrophotographic photoreceptor | 京瓷办公信息系统株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-105646277-B | Quinone derivative and electrophotographic photoreceptor | 京瓷办公信息系统株式会社 | 2017-10-24 | — | — | CN | disclosed |