Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HBB | P68871 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | GLS | O94925 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL78821 | 1.00 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL29567211 | 1.00 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL767566 | 1.00 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL29402853 | 1.00 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL38819 | 1.00 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL6852463 | 0.88 | CYP1A2 (0.55) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL14410468 | 0.88 | CYP1A2 (0.55) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL13651922 | 0.87 | CYP1A2 (0.66) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL17983178 | 0.86 | CYP1A2 (0.53) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL31258922 | 0.85 | CYP1A2 (0.84) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E |
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-4225447-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |