Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29426462 | 1.00 | KMT2A (0.47) | KMT2ACASP3EPHX2L3MBTL1MDM4 | |
| SCHEMBL29426426 | 0.91 | KMT2A (0.50) | KMT2ACASP3EPHX2MDM4TP53 | |
| SCHEMBL24305580 | 0.91 | KMT2A (0.50) | KMT2ACASP3EPHX2MDM4TP53 | |
| SCHEMBL2481585 | 0.89 | CASP3 (0.50) | KMT2ACASP3EPHX2L3MBTL1MDM4 | |
| SCHEMBL21645558 | 0.89 | CASP3 (0.50) | KMT2ACASP3EPHX2L3MBTL1MDM4 | |
| SCHEMBL2481578 | 0.89 | CASP3 (0.50) | KMT2ACASP3EPHX2L3MBTL1MDM4 | |
| SCHEMBL31520511 | 0.87 | MDM2 (0.47) | KMT2ACASP3EPHX2L3MBTL1MDM4 | |
| SCHEMBL31520506 | 0.87 | KMT2A (0.46) | KMT2ACASP3EPHX2L3MBTL1MDM4 | |
| SCHEMBL31520524 | 0.85 | MDM2 (0.49) | KMT2ACASP3EPHX2L3MBTL1MDM4 | |
| SCHEMBL1054730 | 0.85 | MDM4 (0.52) | KMT2ACASP3MDM4TP53PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |