Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | CPS1 | P31327 | 1/20 | 0.32 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.32 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.32 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28240049 | 0.85 | GRIN2B (0.36) | OPRM1OPRD1OPRK1TIPARPIDH1 | |
| SCHEMBL28239143 | 0.75 | DRD1 (0.50) | DRD1HTR2C | |
| SCHEMBL1686619 | 0.64 | KDM1A (0.42) | KDM1AMTNR1AMTNR1BHTR2AKYAT1 | |
| SCHEMBL1686616 | 0.64 | KDM1A (0.42) | KDM1AMTNR1AMTNR1BHTR2AKYAT1 | |
| SCHEMBL1686617 | 0.64 | KDM1A (0.42) | KDM1AMTNR1AMTNR1BHTR2AKYAT1 | |
| SCHEMBL16624303 | 0.62 | SLC6A2 (0.62) | OPRM1DRD1KYAT1KYAT3AADAT | |
| SCHEMBL26939190 | 0.62 | HTR2C (0.49) | OPRM1OPRD1KDM1AMTNR1AMTNR1B | |
| SCHEMBL23929133 | 0.62 | DRD2 (0.41) | DRD1 | |
| SCHEMBL21670710 | 0.61 | DRD2 (0.45) | IDH1 | |
| SCHEMBL22970938 | 0.61 | MAOA (0.57) | BRD4DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104903310-B | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 阵列生物制药公司 | 2018-08-14 | — | — | CN | disclosed |