Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 9/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL7691375 | 0.81 | OPRL1 (0.60) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL8941915 | 0.81 | OPRM1 (0.49) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL3153086 | 0.81 | NPSR1 (0.53) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL9359047 | 0.79 | NPSR1 (0.48) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL23366619 | 0.78 | OPRM1 (0.49) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL10047375 | 0.77 | NPSR1 (0.61) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL21639941 | 0.76 | OPRL1 (0.74) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL20697774 | 0.75 | CACNA2D1 (0.48) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL17049270 | 0.75 | OPRM1 (0.56) | NPSR1GPR55OPRM1OPRL1OPRD1 | |
| SCHEMBL8941983 | 0.75 | NPSR1 (0.50) | NPSR1GPR55OPRM1OPRL1OPRD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3110816-B1 | N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS | CANCER RESEARCH TECH LTD (GB) | 2019-06-19 | — | — | EP | disclosed |