Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | NCK1 | P16333 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL19447792 | 0.89 | AKR1C3 (0.40) | AKR1C3AKR1C2CYP1A2TYMSMAOA | |
| SCHEMBL20049256 | 0.77 | FGFR1 (0.35) | AKR1C3AKR1C2TYMSFGFR1HPGD | |
| SCHEMBL2667929 | 0.77 | CYP1A2 (0.59) | CYP1A2AAK1KDM4ELMNAPOLB | |
| SCHEMBL889349 | 0.77 | NPC1 (0.43) | CYP1A2AAK1KDM4ELMNAPOLB | |
| SCHEMBL2609300 | 0.77 | HTR3A (0.46) | AAK1KDM4EBACE1HPGDSMN1; SMN2 | |
| SCHEMBL4540271 | 0.76 | CYP1A2 (0.63) | CYP1A2TYMSKDM4ELMNAPOLB | |
| SCHEMBL23876999 | 0.76 | ESR2 (0.50) | CYP1A2AAK1 | |
| SCHEMBL17066127 | 0.76 | AAK1 (0.37) | CYP1A2TYMSAAK1KDM4ELMNA | |
| SCHEMBL2609295 | 0.76 | BACE1 (0.53) | CYP1A2TYMSAAK1KDM4EBACE1 | |
| SCHEMBL25727243 | 0.76 | BACE1 (0.53) | CYP1A2AAK1KDM4ELMNABACE1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0715626-A1 | ANTIMICROBIAL QUINOLINYL-(1H-1,2,4-TRIAZOL-1-YL)ALKANOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-06-12 | — | — | EP | disclosed |
| WO-1995006047-A1 | ANTIMICROBIAL QUINOLINYL-(1H-1,2,4-TRIAZOL-1-YL)ALKANOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-03-02 | — | — | WO | disclosed |