Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 9/20 | 0.74 |
| ▸ | HTR1B | P28222 | 9/20 | 0.74 |
| ▸ | HTR1A | P08908 | 8/20 | 0.74 |
| ▸ | HTR2A | P28223 | 3/20 | 0.74 |
| ▸ | HTR2C | P28335 | 3/20 | 0.74 |
| ▸ | HTR2B | P41595 | 2/20 | 0.74 |
| ▸ | HTR7 | P34969 | 2/20 | 0.74 |
| ▸ | HTR5A | P47898 | 2/20 | 0.74 |
| ▸ | HTR1E | P28566 | 1/20 | 0.74 |
| ▸ | HTR1F | P30939 | 1/20 | 0.74 |
| ▸ | HTR3A | P46098 | 1/20 | 0.74 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347590 | 0.93 | HTR1D (0.71) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| SCHEMBL9800384 | 0.89 | HTR1D (0.59) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| SCHEMBL13926193 | 0.88 | HTR1D (0.76) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| SCHEMBL5918478 | 0.87 | HTR1D (0.74) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| SCHEMBL5918470 | 0.87 | HTR1D (0.74) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| SCHEMBL9456487 | 0.87 | HTR1D (0.74) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| SCHEMBL2739183 | 0.87 | HTR1D (0.74) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7558464 | 0.86 | HTR1A (0.72) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| Dimethylamine SCHEMBL8927414 | 0.85 | HTR1D (0.71) | HTR1DHTR1BHTR1AHTR2AHTR2C | |
| Sumatriptan SCHEMBL183393 | 0.85 | HTR1A (1.00) | HTR1DHTR1BHTR1AHTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5037845-A | Analgesics; for treatment or prevention of pain due to vasodilation in the cranium | GLAXO GROUP LIMITED (GB) | 1991-08-06 | — | — | US | disclosed |