Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 9/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24345707 | 1.00 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL8972253 | 0.87 | CYP2D6 (0.63) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL27426180 | 0.87 | CYP2D6 (0.63) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL17034685 | 0.87 | CYP1A2 (0.50) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL4766284 | 0.86 | CA1 (0.47) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL25319889 | 0.83 | CA1 (0.47) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL25319893 | 0.83 | CA1 (0.47) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL29689264 | 0.82 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL2385474 | 0.82 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL1369011 | 0.82 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116547287-A | Inhibitors of APOL1 and methods of use thereof | 弗特克斯药品有限公司 | 2023-08-04 | — | — | CN | disclosed |
| WO-2023101981-A1 | SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-06-08 | — | — | WO | disclosed |
| WO-2023102022-A1 | 4-PHENYL-2-(1H-1,2,3-TRIAZOL-4-YL)PIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-06-08 | — | — | WO | disclosed |