Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL25044957 | 0.68 | HTR3A (0.38) | CYP11B2 | |
| SCHEMBL14603709 | 0.61 | DAO (0.33) | — | |
| SCHEMBL4696964 | 0.61 | DAO (0.33) | — | |
| SCHEMBL5603546 | 0.60 | CYP11B2 (0.32) | NISCHCYP11B2TDO2 | |
| SCHEMBL5602030 | 0.60 | CYP11B2 (0.32) | NISCHCYP11B2TDO2 | |
| SCHEMBL5602187 | 0.60 | CYP11B2 (0.32) | NISCHCYP11B2TDO2 | |
| SCHEMBL5602328 | 0.60 | CYP11B2 (0.32) | NISCHCYP11B2TDO2 | |
| SCHEMBL5600186 | 0.60 | CYP11B2 (0.32) | NISCHCYP11B2TDO2 | |
| SCHEMBL5602260 | 0.60 | CYP11B2 (0.32) | NISCHCYP11B2TDO2 | |
| SCHEMBL5601774 | 0.60 | CYP11B2 (0.32) | NISCHCYP11B2TDO2 |
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-3433234-B1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME (US) | 2021-10-27 | — | — | EP | disclosed |
| US-4359370-A | AN IMIDAZOLE-EPOXY ADDUCT CATALYST | SHELL OIL COMPANY (US) | 1982-11-16 | — | — | US | disclosed |