Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6299 | 0.98 | CYP1A2 (0.48) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL29446718 | 0.98 | CYP1A2 (0.48) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL6333464 | 0.80 | CYP1A1 (0.40) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL29809738 | 0.80 | ALDH1A1 (0.56) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL1945874 | 0.80 | ALDH1A1 (0.56) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL333588 | 0.77 | ALDH1A1 (0.38) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL18190522 | 0.77 | ALDH1A1 (0.38) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL18190429 | 0.77 | CSNK2A1 (0.39) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL22904469 | 0.77 | ALDH1A1 (0.38) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL11187626 | 0.77 | ALDH1A1 (0.38) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD |
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-104105485-B | Acc inhibitors and uses thereof | 吉利德阿波罗公司 | 2017-04-12 | — | — | CN | disclosed |