Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16694120 | 1.00 | CYP2A6 (0.38) | CYP2A6CYP1A2TDP1ALDH1A1CA1 | |
| SCHEMBL2886802 | 0.76 | MAPK1 (0.36) | ALDH1A1 | |
| SCHEMBL16694347 | 0.75 | KIF11 (0.40) | CYP1A2TDP1ALDH1A1CA1CA2 | |
| SCHEMBL16694052 | 0.74 | KIF11 (0.36) | ALDH1A1PTPN1 | |
| SCHEMBL29591821 | 0.72 | ACHE (0.41) | CYP1A2TDP1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL16694676 | 0.72 | ACHE (0.41) | CYP1A2TDP1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL16694153 | 0.72 | KIF11 (0.38) | ALDH1A1PTPN1KDM4EMEN1KMT2A | |
| SCHEMBL16694217 | 0.71 | ACHE (0.41) | CYP2A6CYP1A2TDP1ALDH1A1CA1 | |
| SCHEMBL29590334 | 0.71 | ACHE (0.41) | CYP2A6CYP1A2TDP1ALDH1A1CA1 | |
| SCHEMBL16694210 | 0.71 | PTPN5 (0.37) | TDP1ALDH1A1CA1CA2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003271-B | Process for producing aromatic compound | 住友化学株式会社 | 2022-05-03 | — | — | CN | disclosed |