Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11346187 | 0.84 | CYP2A6 (0.50) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL162882 | 0.78 | NPC1 (0.52) | CYP2A6CYP2D6HIF1ASMN1; SMN2NPC1 | |
| SCHEMBL12309888 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP2D6HIF1ACYP19A1MEN1 | |
| SCHEMBL3584078 | 0.75 | CYP2A6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL10978547 | 0.75 | CYP2A6 (0.45) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL12304966 | 0.75 | CYP2A6 (0.45) | CYP2A6CYP2D6HIF1ACYP19A1MEN1 | |
| SCHEMBL12569555 | 0.75 | CYP2D6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL4047365 | 0.75 | CYP2D6 (0.57) | CYP2A6CYP2D6HIF1ASMN1; SMN2NPC1 | |
| SCHEMBL21865143 | 0.75 | CYP2D6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL21003972 | 0.75 | CYP2D6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6127388-A | Azetidine, pyrrolidine and piperidine derivatives as 5-HT1D receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 2000-10-03 | — | — | US | disclosed |
| US-5998416-A | Piperazine, piperidine and tetrahydropyridine derivatives as 5-HT receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| EP-0906318-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AS 5-HT RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1999-04-07 | — | — | EP | disclosed |
| EP-0906308-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1999-04-07 | — | — | EP | disclosed |
| US-5837715-A | 3-fluoro-4-aminopiperidine derivatives as 5-HT receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-11-17 | — | — | US | disclosed |
| WO-1997045426-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-12-04 | — | — | WO | disclosed |
| WO-1997045432-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AS 5-HT RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-12-04 | — | — | WO | disclosed |