Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25164891 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL6545340 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL5407973 | 0.79 | TRPA1 (0.54) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL16800740 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL12189899 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL30033048 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL20967453 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL12807356 | 0.77 | TRPA1 (0.50) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL1402326 | 0.76 | TRPA1 (0.54) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL21315102 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 |
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-4209492-A1 | COMPOUND FOR TREATING THROMBOTIC DISEASES | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2023-07-12 | — | — | EP | disclosed |