Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22284857 | 1.00 | CYP3A4 (0.54) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL22284858 | 0.88 | CYP3A4 (0.63) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL30444662 | 0.88 | CYP3A4 (0.63) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL25547935 | 0.84 | MAP4K1 (0.45) | CYP19A1KMT2AMAPTROCK2CYP11B1 | |
| SCHEMBL18770343 | 0.81 | CYP3A4 (0.80) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL18770354 | 0.79 | RAB9A (0.59) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL30444594 | 0.79 | RAB9A (0.59) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL14073935 | 0.78 | MAPT (0.64) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL14073771 | 0.77 | CYP3A4 (0.60) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL14073783 | 0.77 | CYP3A4 (0.70) | CYP3A4CYP19A1CYP2C9CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3365330-B1 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIV OF TECHNOLOGY (ZA) | 2023-06-07 | — | — | EP | disclosed |