Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | GLA | P06280 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29605727 | 0.98 | CYP1A2 (0.74) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3408343 | 0.88 | ALDH1A1 (0.71) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3401326 | 0.86 | CYP1A2 (0.74) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4766997 | 0.85 | CYP2C9 (0.57) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL279945 | 0.84 | NPSR1 (0.97) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1512550 | 0.84 | CYP1A2 (0.97) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2493968 | 0.84 | ALDH1A1 (0.71) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4488723 | 0.84 | CYP1A2 (0.76) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1381550 | 0.84 | ALDH1A1 (0.70) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL2464026 | 0.84 | ALDH1A1 (0.70) | ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9 |
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-4642766-A1 | COMPOUNDS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2025-11-05 | — | — | EP | disclosed |
| WO-2024145585-A1 | COMPOUNDS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-07-04 | — | — | WO | disclosed |