Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | TACR2 | P21452 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11235726 | 0.95 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11226173 | 0.92 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11234715 | 0.90 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11231157 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11228465 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11230130 | 0.87 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11234702 | 0.84 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11220432 | 0.83 | CYP3A4 (0.67) | CYP3A4CYP2D6CYP2C9CYP2C19PGR | |
| SCHEMBL11225725 | 0.82 | MAPT (0.48) | LMNAPKMMAPTHTTCYP19A1 | |
| SCHEMBL11230358 | 0.81 | MAPT (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19PGR |
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 |
|---|---|---|---|---|---|---|---|
| US-4357338-A | Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1982-11-02 | — | — | US | claimed |