Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.71 |
| ▸ | HTR2C | P28335 | 8/20 | 0.71 |
| ▸ | HTR1D | P28221 | 7/20 | 0.71 |
| ▸ | HTR1B | P28222 | 7/20 | 0.71 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.71 |
| ▸ | HTR2A | P28223 | 1/20 | 0.71 |
| ▸ | HRH1 | P35367 | 1/20 | 0.71 |
| ▸ | HTR2B | P41595 | 1/20 | 0.71 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4344147 | 0.93 | HTR1D (0.73) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL7479049 | 0.88 | HTR1D (0.69) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL6643961 | 0.86 | HTR1A (0.73) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL13112624 | 0.86 | HTR1A (0.77) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL13209475 | 0.86 | HTR1A (0.73) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL27684264 | 0.86 | HTR1D (0.73) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL7839523 | 0.86 | HTR1D (0.73) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL6942953 | 0.84 | HTR1D (0.75) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL24026446 | 0.83 | HTR1A (0.72) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL7083606 | 0.83 | HTR1A (0.69) | HTR1AHTR2CHTR1DHTR1BADRA2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6048878-A | Substituted piperidine derivatives as selective agonists of 5-HT receptors | MERCK SHARP & DOHME LTD. (GB) | 2000-04-11 | — | — | US | disclosed |
| US-5981529-A | Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists | MERCK SHARP & DOHME LIMITED (GB) | 1999-11-09 | — | — | US | disclosed |
| US-5889008-A | Substituted 1-indolylpropyl-4-phenethylpiperazadine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1999-03-30 | — | — | US | disclosed |
| US-5854268-A | Azetidine, pyrrolidine and piperidine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1998-12-29 | — | — | US | disclosed |
| EP-0844996-A1 | SUBSTITUTED 1-INDOLYLPROPYL-4-PHENETHYLPIPERAZINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-06-03 | — | — | EP | disclosed |
| WO-1997006159-A1 | SUBSTITUTED 1-INDOLYLPROPYL-4-PHENETHYLPIPERAZINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-02-20 | — | — | WO | disclosed |