Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1206404 | 0.87 | ADRA2C (0.50) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL7150641 | 0.87 | ADRA2C (0.50) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL30288482 | 0.87 | ADRA2C (0.50) | CES2CES1CYP3A4IDO1TDO2 | |
| Hydrochloric Acid SCHEMBL2323838 | 0.85 | KDM4E (0.52) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL3186857 | 0.83 | CES2 (0.43) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL1913425 | 0.82 | CES2 (0.42) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL11100938 | 0.82 | CES2 (0.42) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL18921341 | 0.82 | CES2 (0.42) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL29966788 | 0.82 | CES2 (0.42) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL20213832 | 0.81 | TAAR1 (0.46) | CES2CES1CYP3A4HRH1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022086828-A1 | TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-04-28 | — | — | WO | disclosed |
| WO-2015004282-A1 | SULFONAMIDE-HETEROCYCLIC HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2015-01-15 | — | — | WO | disclosed |
| WO-2015004282-A1 | SULFONAMIDE-HETEROCYCLIC HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2015-01-15 | — | — | WO | disclosed |