Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.73 |
| ▸ | HTR1A | P08908 | 18/20 | 0.69 |
| ▸ | HTR1D | P28221 | 18/20 | 0.69 |
| ▸ | HTR1B | P28222 | 18/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 17/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 16/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2881169 | 0.89 | CYP2C9 (0.64) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 | |
| SCHEMBL428424 | 0.82 | CYP2C9 (0.66) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 | |
| SCHEMBL2878229 | 0.81 | HTR1A (1.00) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| Hydrochloric Acid SCHEMBL27670548 | 0.81 | CYP2C9 (0.62) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 | |
| SCHEMBL27670544 | 0.81 | CYP2C9 (0.75) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 | |
| Hydrochloric Acid SCHEMBL2885179 | 0.81 | CYP2C9 (0.64) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 | |
| Hydrochloric Acid SCHEMBL2885176 | 0.79 | CYP2C9 (0.62) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 | |
| Hydrochloric Acid SCHEMBL5355416 | 0.79 | CYP2C9 (0.62) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 | |
| SCHEMBL10859385 | 0.78 | SIGMAR1 (0.56) | HTR1ASLC6A4 | |
| SCHEMBL2880734 | 0.78 | CYP2C9 (0.65) | CYP2C9HTR1AHTR1DHTR1BSLC6A4 |
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-1646613-A1 | QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS | GLAXO GROUP LIMITED (GB) | 2006-04-19 | — | — | EP | disclosed |
| WO-2005014552-A1 | QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS | GLAXO GROUP LIMITED (GB) | 2005-02-17 | — | — | WO | disclosed |