Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17290927 | 1.00 | KMT2A (0.44) | KMT2ALMNAHSD17B10ALDH1A1CYP2C19 | |
| SCHEMBL12707192 | 0.91 | KMT2A (0.48) | KMT2ALMNAALDH1A1ACP3PTGS1 | |
| SCHEMBL6312058 | 0.82 | MTNR1A (0.51) | ALDH1A1 | |
| SCHEMBL17291147 | 0.82 | KMT2A (0.53) | KMT2AACP3PTGS1PTGS2SMN1; SMN2 | |
| SCHEMBL17290574 | 0.82 | HDAC4 (0.49) | KMT2ALMNAALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL11031397 | 0.80 | KMT2A (0.62) | KMT2ALMNAALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL1653533 | 0.79 | PTGS1 (0.62) | KMT2AALDH1A1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL29484096 | 0.79 | PTGS1 (0.62) | KMT2AALDH1A1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL9019965 | 0.79 | KMT2A (0.47) | KMT2ALMNAHSD17B10ACP3PTGS1 | |
| SCHEMBL9432428 | 0.79 | KMT2A (0.47) | KMT2ALMNAHSD17B10ACP3PTGS1 |
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-3148972-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015183839-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | WO | disclosed |