Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 11/20 | 0.55 |
| ▸ | HTR1B | P28222 | 10/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 3/20 | 0.53 |
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | HTR1F | P30939 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7867370 | 0.76 | APP (0.65) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8128972 | 0.75 | ALDH1A1 (0.42) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23010845 | 0.72 | APP (0.64) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23010847 | 0.72 | HTR1D (0.72) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5370625 | 0.72 | CYP1A2 (0.64) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6992985 | 0.72 | HTR1D (0.55) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4673580 | 0.71 | HTR1B (0.71) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21088266 | 0.71 | HTR1D (0.80) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21088140 | 0.71 | APP (0.63) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3546728 | 0.71 | CYP1A2 (1.00) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 |
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-1003738-B1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 2003-11-19 | — | — | EP | disclosed |
| US-6391891-B1 | ANTISEROTONINE AGENT; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS | SMITHKLINE BEECHAM PLC (GB) | 2002-05-21 | — | — | US | disclosed |
| EP-1003738-A1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999007700-A1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 1999-02-18 | — | — | WO | disclosed |