Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 11/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27782364 | 0.94 | OPRM1 (0.58) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL7686628 | 0.86 | CHRM1 (0.60) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL7686622 | 0.86 | CHRM1 (0.60) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL7684854 | 0.84 | TACR1 (0.59) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL7686523 | 0.84 | TACR1 (0.59) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL27804049 | 0.82 | ALDH1A1 (0.58) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL4679567 | 0.80 | OPRM1 (0.55) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL4679560 | 0.80 | OPRM1 (0.55) | OPRM1OPRK1OPRL1CHRM1CHRM2 | |
| SCHEMBL1833681 | 0.80 | OPRM1 (0.52) | OPRM1OPRK1OPRL1ALDH1A1TSHR | |
| SCHEMBL7682894 | 0.80 | OPRM1 (0.59) | OPRM1OPRK1OPRL1CHRM1CHRM2 |
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-6346540-B1 | SUBSTANCE P ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL AND BRAIN DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-02-12 | — | — | US | disclosed |
| EP-0855999-B1 | 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2001-10-04 | — | — | EP | disclosed |
| US-6169097-B1 | 1-(1,2-Disubstituted piperidinyl)-4-substituted piperidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-01-02 | — | — | US | disclosed |