Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 18/20 | 0.61 |
| ▸ | HTR1D | P28221 | 18/20 | 0.61 |
| ▸ | HTR1B | P28222 | 18/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 15/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2884146 | 0.99 | HTR1A (0.60) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL2883396 | 0.87 | HTR1A (0.67) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL2878647 | 0.86 | HTR1A (0.66) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL2897763 | 0.85 | HTR1A (0.67) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL2881169 | 0.85 | CYP2C9 (0.64) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL2883222 | 0.81 | HTR1A (0.59) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL2882984 | 0.80 | HTR1D (0.76) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL2883364 | 0.79 | HTR1A (0.63) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL2882627 | 0.79 | HTR1A (0.63) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL6065950 | 0.78 | CYP2C9 (0.73) | HTR1AHTR1DHTR1BSLC6A4KCNH2 |
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 |