Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1994698 | 0.77 | SLC6A4 (0.30) | — | |
| SCHEMBL17184552 | 0.77 | KMT2A (0.31) | KDM4EKMT2A | |
| SCHEMBL17624334 | 0.76 | HDAC6 (0.33) | OPRM1 | |
| SCHEMBL17606551 | 0.76 | GABRP (0.33) | — | |
| Hydrochloric Acid SCHEMBL9177709 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL29194379 | 0.75 | — | — | |
| SCHEMBL23011203 | 0.71 | — | — | |
| SCHEMBL28442394 | 0.70 | — | — | |
| SCHEMBL13812379 | 0.69 | KMT2A (0.36) | KMT2A | |
| SCHEMBL1313232 | 0.69 | KDM4E (0.35) | KDM4EKMT2AOPRM1 |
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 |