Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11229601 | 0.76 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL6732304 | 0.65 | IDO1 (0.42) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL3672833 | 0.62 | ERCC1 (0.51) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL1648141 | 0.62 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL1625791 | 0.62 | IDO1 (0.54) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL11353946 | 0.62 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL11230158 | 0.62 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL5615559 | 0.61 | ERCC1 (0.50) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL4863737 | 0.61 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 | |
| SCHEMBL271766 | 0.60 | IDO1 (0.52) | CYP1A2CYP3A4CYP2C9MAPK1CYP2C19 |
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-4315023-A | FOR USE AS FUNGICIDES AND BACTERICIDES | WESTWOOD PHARMACEUTICALS, INC. (US) | 1982-02-09 | — | — | US | disclosed |