Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 16/20 | 0.68 |
| ▸ | HTR1B | P28222 | 16/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6973429 | 0.83 | HTR1D (0.73) | HTR1DHTR1B | |
| SCHEMBL6971174 | 0.79 | HTR1D (0.72) | HTR1DHTR1B | |
| SCHEMBL9582676 | 0.76 | TDP1 (0.85) | HTR1DHTR1BCYP1A2CYP3A4HTR1A | |
| SCHEMBL6964332 | 0.76 | HTR1D (0.59) | HTR1DHTR1B | |
| SCHEMBL6968099 | 0.75 | HTR1D (0.55) | HTR1DHTR1BDRD2DRD4DRD3 | |
| SCHEMBL6973431 | 0.75 | HTR1D (0.66) | HTR1DHTR1B | |
| SCHEMBL9581430 | 0.74 | TDP1 (0.73) | HTR1DHTR1BCYP1A2CYP3A4HTR1A | |
| SCHEMBL7010593 | 0.73 | HTR1D (0.61) | HTR1DHTR1B | |
| SCHEMBL6968414 | 0.73 | DRD3 (0.56) | HTR1DHTR1BCYP1A2CYP3A4HTR1A | |
| SCHEMBL9582399 | 0.72 | TDP1 (0.79) | CYP1A2CYP3A4HTR1AMAPTCYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | claimed |
| US-5998438-A | SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-12-07 | — | — | US | claimed |
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | disclosed |
| US-5998438-A | SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-12-07 | — | — | US | disclosed |