Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21729418 | 0.80 | POLB (0.38) | CYP1A2CYP2C9POLBTGFBR1 | |
| SCHEMBL22300408 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C9KDM4EGLAGAA | |
| SCHEMBL21083369 | 0.78 | TGFBR1 (0.51) | CYP1A2CYP2C9KDM4EGLAGAA | |
| SCHEMBL5657000 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP2C9KDM4EGLAGAA | |
| SCHEMBL9116835 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP2C9KDM4EGLAGAA | |
| SCHEMBL17815897 | 0.75 | POLB (0.69) | CYP1A2CYP2C9KDM4EGLAGAA | |
| SCHEMBL10238918 | 0.71 | CYP1A2 (0.56) | CYP1A2CYP2C9KDM4EGLAGAA | |
| SCHEMBL20193918 | 0.70 | TGFBR1 (0.64) | TGFBR1 | |
| SCHEMBL26178957 | 0.70 | NR1H4 (0.45) | CYP1A2CYP2C9KDM4EGLAGAA | |
| SCHEMBL32688112 | 0.69 | KDM4E (0.56) | CYP1A2CYP2C9KDM4EGLAGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3318557-A2 | QUINOLONE COMPOUND | Otsuka Pharmaceutical Co., Ltd. (JP) | 2018-05-09 | — | — | EP | disclosed |