Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 1.00 |
| ▸ | CYP19A1 | P11511 | 5/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 4/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.83 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.83 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 4/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | CLK3 | P49761 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18770367 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29478289 | 0.91 | CYP3A4 (1.00) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18770357 | 0.91 | CYP3A4 (1.00) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29478290 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18770307 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18770362 | 0.80 | CYP3A4 (1.00) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29478294 | 0.80 | CYP3A4 (1.00) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18770334 | 0.74 | CYP3A4 (0.75) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14073571 | 0.72 | ALDH1A1 (0.63) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14073783 | 0.72 | CYP3A4 (0.70) | CYP3A4CYP19A1CYP1A2CYP2C9CYP2C19 |
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-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 | claimed |
| CN-108779085-B | Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 | 马古苏托科技大学 | 2022-03-22 | — | — | CN | claimed |