Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 14/20 | 0.72 |
| ▸ | TACR1 | P25103 | 4/20 | 0.72 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564833 | 0.93 | OPRM1 (0.83) | OPRM1TACR1CA12CA1CA2 | |
| SCHEMBL8629631 | 0.90 | OPRM1 (0.73) | OPRM1TACR1CA12CA1CA2 | |
| SCHEMBL8568439 | 0.89 | OPRM1 (0.77) | OPRM1TACR1CA12CA1CA2 | |
| SCHEMBL8568831 | 0.87 | OPRM1 (0.81) | OPRM1TACR1CA12CA1CA2 | |
| SCHEMBL8570784 | 0.87 | OPRM1 (0.79) | OPRM1TACR1CA12CA1CA2 | |
| SCHEMBL8568687 | 0.87 | OPRM1 (0.67) | OPRM1TACR1CHRM3SIGMAR1OPRD1 | |
| SCHEMBL8568971 | 0.87 | OPRM1 (0.67) | OPRM1TACR1CHRM3SIGMAR1OPRD1 | |
| SCHEMBL8570791 | 0.86 | OPRM1 (0.73) | OPRM1TACR1CA12CA1CA2 | |
| SCHEMBL8564685 | 0.85 | OPRM1 (0.82) | OPRM1TACR1CA12CA1CA2 | |
| SCHEMBL8569082 | 0.85 | OPRM1 (0.79) | OPRM1TACR1CA12CA1CA2 |
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-0708101-B1 | Piperidine derivatives, useful as neurokinin receptor antagonists | ADIR (FR) | 1998-12-09 | — | — | EP | disclosed |
| US-5652246-A | NEUROKININ RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS | ADIR ET COMPAGNIE (FR) | 1997-07-29 | — | — | US | disclosed |
| EP-0708101-A1 | Novel piperidine derivatives, useful as neurokinin receptor antagonists | ADIR ET COMPAGNIE (FR) | 1996-04-24 | — | — | EP | disclosed |