Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.56 |
| ▸ | PGR | P06401 | 4/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.56 |
| ▸ | HTR2A | P28223 | 4/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.56 |
| ▸ | DRD3 | P35462 | 4/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11017620 | 1.00 | IDO1 (0.56) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| SCHEMBL11015944 | 1.00 | IDO1 (0.56) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| SCHEMBL4536675 | 0.91 | CYP19A1 (0.56) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| SCHEMBL18694736 | 0.85 | CYP3A4 (0.55) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| Nitric Acid SCHEMBL15346828 | 0.84 | CYP3A4 (0.59) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| SCHEMBL28226515 | 0.81 | CYP19A1 (0.50) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| Hydrochloric Acid SCHEMBL11176357 | 0.79 | CYP19A1 (0.58) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| SCHEMBL3984360 | 0.79 | CYP19A1 (0.58) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| SCHEMBL11289054 | 0.79 | CYP19A1 (0.40) | IDO1CYP2C9CYP3A4CYP19A1PGR | |
| SCHEMBL4531856 | 0.78 | CYP3A4 (0.52) | IDO1CYP2C9CYP3A4CYP19A1PGR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022023380-A2 | ASSAY | KING'S COLLEGE LONDON (GB) | 2022-02-03 | — | — | WO | disclosed |