Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 19/20 | 0.46 |
| ▸ | HTR1D | P28221 | 19/20 | 0.46 |
| ▸ | HTR1B | P28222 | 19/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.46 |
| ▸ | DRD2 | P14416 | 5/20 | 0.46 |
| ▸ | HTR7 | P34969 | 5/20 | 0.46 |
| ▸ | DRD3 | P35462 | 5/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 4/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884837 | 0.79 | HTR1A (0.57) | HTR1AHTR1DHTR1BKCNH2DRD2 | |
| SCHEMBL2884411 | 0.79 | HTR1A (0.65) | HTR1AHTR1DHTR1BCYP2C9KCNH2 | |
| Hydrochloric Acid SCHEMBL2878235 | 0.79 | HTR1A (0.56) | HTR1AHTR1DHTR1BKCNH2DRD2 | |
| SCHEMBL27670535 | 0.75 | HTR1A (0.43) | HTR1AHTR1DHTR1BCYP2C9KCNH2 | |
| SCHEMBL2884623 | 0.75 | HTR1A (0.69) | HTR1AHTR1DHTR1BKCNH2DRD2 | |
| Hydrochloric Acid SCHEMBL27650461 | 0.75 | ADRA1A (0.42) | HTR1AHTR1DHTR1BCYP2C9KCNH2 | |
| Hydrochloric Acid SCHEMBL2885376 | 0.72 | HTR1A (0.72) | HTR1AHTR1DHTR1BKCNH2DRD2 | |
| Hydrochloric Acid SCHEMBL2884192 | 0.72 | HTR1D (0.54) | HTR1AHTR1DHTR1BCYP2C9KCNH2 | |
| SCHEMBL27650507 | 0.72 | HTR1D (0.53) | HTR1AHTR1DHTR1BCYP2C9KCNH2 | |
| SCHEMBL2885737 | 0.71 | HTR1A (0.57) | HTR1AHTR1DHTR1BKCNH2DRD2 |
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 |