Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13323320 | 0.89 | CASP3 (0.57) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL29664082 | 0.89 | CASP3 (0.57) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL8355967 | 0.89 | CASP3 (0.57) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL3039215 | 0.89 | CASP3 (0.57) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL24305475 | 0.84 | KMT2A (0.47) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL1054730 | 0.84 | MDM4 (0.52) | CASP3KMT2AMDM4TP53PTPN1 | |
| SCHEMBL24305580 | 0.84 | KMT2A (0.50) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL29426462 | 0.84 | KMT2A (0.47) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL29426426 | 0.84 | KMT2A (0.50) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL1829613 | 0.84 | MDM4 (0.52) | CASP3KMT2AMDM4TP53PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022048922-A1 | SUBSTITUTED VICINAL DIAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF PAIN | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2022-03-10 | — | — | WO | disclosed |
| EP-3964497-A1 | SUBSTITUTED VICINAL DIAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF PAIN | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2022-03-09 | — | — | EP | disclosed |