Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 19/20 | 0.58 |
| ▸ | HTR1D | P28221 | 19/20 | 0.58 |
| ▸ | HTR1B | P28222 | 17/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.54 |
| ▸ | DRD2 | P14416 | 4/20 | 0.52 |
| ▸ | HTR2A | P28223 | 4/20 | 0.52 |
| ▸ | HTR7 | P34969 | 4/20 | 0.52 |
| ▸ | DRD3 | P35462 | 4/20 | 0.52 |
| ▸ | HTR2B | P41595 | 4/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27734603 | 1.00 | HTR1A (0.58) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL27754731 | 0.88 | HTR1D (0.67) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL27754670 | 0.87 | HTR1D (0.66) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL2878389 | 0.83 | HTR1A (0.76) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL2886064 | 0.83 | HTR1A (0.76) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL2883780 | 0.79 | HTR1A (0.75) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL2885735 | 0.79 | HTR1A (0.75) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL27754760 | 0.76 | HTR1A (0.56) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL27734463 | 0.74 | HTR1A (0.47) | HTR1AHTR1DHTR1BSLC6A4KCNH2 | |
| SCHEMBL4182190 | 0.73 | HTR1A (1.00) | 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 1 patent. 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 |