Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | NPFFR1 | Q9GZQ6 | 3/20 | 0.46 |
| ▸ | NPFFR2 | Q9Y5X5 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1316305 | 0.92 | OPRL1 (0.55) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| SCHEMBL17609039 | 0.88 | NPFFR1 (0.48) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| SCHEMBL19322400 | 0.84 | OPRL1 (0.53) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| SCHEMBL23268368 | 0.83 | NPFFR1 (0.59) | CYP2D6NPFFR1NPFFR2ALDH1A1KMT2A | |
| SCHEMBL4511211 | 0.83 | NPFFR1 (0.59) | CYP2D6NPFFR1NPFFR2ALDH1A1KMT2A | |
| SCHEMBL3222218 | 0.83 | OPRL1 (0.51) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL9718148 | 0.83 | POLB (0.54) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL9179035 | 0.83 | POLB (0.54) | OPRL1POLBCYP2D6CYP3A4TSHR | |
| SCHEMBL3272594 | 0.82 | CYP2D6 (0.49) | OPRL1CYP2D6CYP3A4TSHRCHRM2 | |
| SCHEMBL27566058 | 0.81 | NPFFR1 (0.60) | OPRL1POLBCYP2D6CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107001318-B | N- (hetero) aryl-substituted heterocyclic derivatives useful for the treatment of diseases or disorders associated with the central nervous system | 克罗诺斯治疗有限公司 | 2020-08-11 | — | — | CN | disclosed |
| 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 |
| CN-1425008-A | 3-aminoquinazolin-2, 4-dione antibacterial agents | WARNER LAMBERT CO (US) | 2003-06-18 | — | — | CN | disclosed |