Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 13/20 | 0.75 |
| ▸ | HTR1B | P28222 | 13/20 | 0.75 |
| ▸ | HTR1A | P08908 | 7/20 | 0.75 |
| ▸ | HTR2A | P28223 | 3/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.75 |
| ▸ | HTR1F | P30939 | 1/20 | 0.58 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091337 | 1.00 | HTR1D (0.75) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| SCHEMBL7811586 | 0.89 | HTR1D (0.75) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| SCHEMBL5528416 | 0.89 | HTR1D (0.75) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| SCHEMBL2617889 | 0.89 | HTR1D (0.78) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| SCHEMBL7811321 | 0.89 | HTR1D (0.75) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| Zolmitriptan SCHEMBL33336 | 0.86 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| SCHEMBL2739219 | 0.86 | HTR1D (0.74) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| Zolmitriptan SCHEMBL40595 | 0.86 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| Zolmitriptan SCHEMBL4427888 | 0.86 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR2AKMT2A | |
| Zolmitriptan SCHEMBL29835946 | 0.86 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR2AKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6025374-A | Azetidine, pyrrolidine and piperidine derivatives as 5HT1 receptor agonists | MERCK SHARP & DOHME, LTD. (GB) | 2000-02-15 | — | — | US | disclosed |
| EP-0796258-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-09-24 | — | — | EP | disclosed |
| WO-1996017842-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-06-13 | — | — | WO | disclosed |