Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17606580 | 0.92 | CHRM2 (0.56) | CHRM2CHRM3OPRM1OPRL1POLB | |
| SCHEMBL17606744 | 0.84 | OPRM1 (0.43) | CHRM2CHRM3OPRM1CYP2D6CYP3A4 | |
| SCHEMBL4536337 | 0.81 | OPRM1 (0.52) | CHRM2CHRM3OPRM1OPRL1POLB | |
| SCHEMBL9179598 | 0.79 | OPRL1 (0.51) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| SCHEMBL9179579 | 0.78 | HRH3 (0.49) | OPRM1OPRL1POLBCYP2D6CYP3A4 | |
| SCHEMBL19307244 | 0.77 | OPRM1 (0.47) | CHRM2CHRM3OPRM1OPRL1POLB | |
| SCHEMBL9179730 | 0.76 | OPRL1 (0.49) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| SCHEMBL9176072 | 0.75 | OPRL1 (0.48) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| SCHEMBL17606641 | 0.75 | ACHE (0.50) | OPRL1POLBMEN1KMT2A | |
| SCHEMBL28437641 | 0.75 | BCHE (0.43) | CHRM2CHRM3OPRM1CYP2D6CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3194385-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | Chronos Therapeutics Limited (GB) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016042453-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |