Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24287306 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL20464228 | 0.82 | KDM4E (0.45) | ALDH1A1KDM4EMAPTADORA2ALMNA | |
| SCHEMBL24795340 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL15618343 | 0.79 | CASP3 (0.48) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL28619679 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL13316859 | 0.76 | ADORA2A (0.49) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL29893264 | 0.76 | GPR84 (0.42) | ALDH1A1KDM4EMAPTLMNAMEN1 | |
| SCHEMBL15860242 | 0.75 | KDM4E (0.73) | CYP1A2ALDH1A1KDM4EMAPTADORA2A | |
| SCHEMBL4439497 | 0.74 | CYP2A6 (0.53) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL30360258 | 0.74 | CYP2A6 (0.53) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT |
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-4225750-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076629-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |