Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL8120938 | 0.91 | TACR1 (0.52) | TACR1SLC6A4OPRD1OPRK1 | |
| SCHEMBL8129622 | 0.86 | TACR1 (0.74) | TACR1SLC6A4 | |
| SCHEMBL8545581 | 0.85 | TACR1 (0.72) | TACR1SLC6A4 | |
| SCHEMBL9394299 | 0.83 | TACR1 (0.54) | TACR1SLC6A4OPRD1OPRK1 | |
| SCHEMBL8824382 | 0.83 | TACR1 (0.54) | TACR1SLC6A4OPRD1OPRK1 | |
| SCHEMBL8866608 | 0.79 | TACR1 (0.49) | TACR1SLC6A4OPRD1OPRK1 | |
| SCHEMBL5592248 | 0.78 | OPRD1 (0.55) | OPRD1OPRK1 | |
| SCHEMBL6482875 | 0.78 | TACR1 (0.59) | TACR1SLC6A4 | |
| SCHEMBL16244835 | 0.77 | OPRD1 (0.57) | OPRD1OPRK1 | |
| SCHEMBL8922437 | 0.77 | OPRD1 (0.43) | TACR1OPRD1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0666856-B1 | 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2000-01-05 | — | — | EP | disclosed |
| US-5620989-A | NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P | MERCK SHARP & DOHME LIMITED (GB) | 1997-04-15 | — | — | US | disclosed |
| WO-1994010165-A1 | 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |