Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.75 |
| ▸ | HTR1A | P08908 | 17/20 | 0.64 |
| ▸ | HTR1D | P28221 | 17/20 | 0.64 |
| ▸ | HTR1B | P28222 | 17/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.59 |
| ▸ | DRD2 | P14416 | 5/20 | 0.59 |
| ▸ | HTR7 | P34969 | 5/20 | 0.59 |
| ▸ | DRD3 | P35462 | 5/20 | 0.59 |
| ▸ | HTR2A | P28223 | 4/20 | 0.59 |
| ▸ | HTR2C | P28335 | 4/20 | 0.59 |
| ▸ | HTR2B | P41595 | 4/20 | 0.59 |
| ▸ | HTR6 | P50406 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6065950 | 0.81 | CYP2C9 (0.73) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL6065954 | 0.78 | CYP2C9 (0.69) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL2878229 | 0.78 | HTR1A (1.00) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL2884757 | 0.78 | CYP2C9 (0.79) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL2880901 | 0.78 | CYP2C9 (0.79) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL13525141 | 0.77 | CYP2C9 (0.67) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL428424 | 0.76 | CYP2C9 (0.66) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL2882531 | 0.76 | HTR1A (0.77) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| SCHEMBL2884211 | 0.76 | HTR1D (0.80) | CYP2C9HTR1AHTR1DHTR1BKCNH2 | |
| Hydrochloric Acid SCHEMBL2885179 | 0.75 | CYP2C9 (0.64) | CYP2C9HTR1AHTR1DHTR1BKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100441571-C | Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors | GLAXO GROUP LTD (GB) | 2008-12-10 | — | — | CN | disclosed |
| CN-1852896-A | Quinoline and quinazoline derivatives having affinity for 5HT 1-type receptors | GLAXO GROUP LTD (GB) | 2006-10-25 | — | — | CN | disclosed |