Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.32 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.32 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 4/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL17606730 | 0.91 | EPHX1 (0.38) | EPHX1SMYD3CYP2C19 | |
| SCHEMBL7820091 | 0.80 | OPRM1 (0.41) | SMYD3CYP2C19OPRM1GAA | |
| SCHEMBL2348782 | 0.74 | HCRTR2 (0.40) | EPHX1SMYD3GAA | |
| SCHEMBL1313231 | 0.73 | SMYD3 (0.44) | SMYD3OPRM1 | |
| SCHEMBL21551515 | 0.73 | SMYD3 (0.44) | SMYD3 | |
| Hydrochloric Acid SCHEMBL19995691 | 0.72 | SMYD3 (0.43) | SMYD3OPRM1 | |
| SCHEMBL28543808 | 0.72 | SMYD3 (0.43) | SMYD3OPRM1 | |
| SCHEMBL21551513 | 0.72 | SMYD3 (0.43) | SMYD3OPRM1 | |
| SCHEMBL16365228 | 0.70 | TSHR (0.35) | EPHX1SMYD3 | |
| SCHEMBL21551460 | 0.69 | SMYD3 (0.45) | SMYD3OPRM1 |
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 |