Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 18/20 | 0.72 |
| ▸ | HTR1D | P28221 | 18/20 | 0.72 |
| ▸ | HTR1B | P28222 | 18/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | DRD2 | P14416 | 6/20 | 0.63 |
| ▸ | HTR7 | P34969 | 6/20 | 0.63 |
| ▸ | DRD3 | P35462 | 6/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.63 |
| ▸ | HTR2A | P28223 | 5/20 | 0.63 |
| ▸ | HTR2C | P28335 | 5/20 | 0.63 |
| ▸ | HTR2B | P41595 | 5/20 | 0.63 |
| ▸ | HTR6 | P50406 | 1/20 | 0.62 |
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 SCHEMBL27650478 | 0.92 | HTR1A (0.68) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| SCHEMBL4938096 | 0.89 | HTR1A (0.76) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| Hydrochloric Acid SCHEMBL27650639 | 0.88 | HTR1A (0.75) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| Hydrochloric Acid SCHEMBL27670565 | 0.85 | HTR1A (0.71) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| SCHEMBL3995158 | 0.85 | HTR1A (0.88) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| Hydrochloric Acid SCHEMBL27650509 | 0.84 | HTR1A (0.69) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| Hydrochloric Acid SCHEMBL27650486 | 0.84 | HTR1A (0.69) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| Hydrochloric Acid SCHEMBL27670564 | 0.84 | HTR1A (0.69) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| SCHEMBL2895887 | 0.84 | HTR1A (1.00) | HTR1AHTR1DHTR1BCYP2C9DRD2 | |
| Hydrochloric Acid SCHEMBL27670561 | 0.83 | HTR1A (0.68) | HTR1AHTR1DHTR1BCYP2C9DRD2 |
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 |