Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.36 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12696036 | 0.86 | ALDH1A1 (0.44) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL29130481 | 0.79 | S1PR2 (0.50) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL20064328 | 0.78 | ALDH1A1 (0.41) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL18463229 | 0.77 | ALDH1A1 (0.40) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL24800558 | 0.77 | ALDH1A1 (0.44) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL30546705 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL5334204 | 0.76 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL20133885 | 0.75 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL10411898 | 0.75 | — | — | |
| SCHEMBL466531 | 0.74 | ALDH1A1 (0.85) | ALDH1A1ENPEP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3957633-A1 | A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF | Hinova Pharmaceuticals Inc. (CN) | 2022-02-23 | — | — | EP | disclosed |