Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9429799 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KMT2ARAB9ACASP3CA12 | |
| SCHEMBL9517322 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KMT2ARAB9ACASP3CA12 | |
| SCHEMBL4410547 | 0.77 | ALDH1A1 (0.54) | ALDH1A1KMT2ACA12CA9MAPK1 | |
| SCHEMBL13459842 | 0.77 | CA12 (0.55) | ALDH1A1KMT2ACA12CA9MAPK1 | |
| SCHEMBL3435525 | 0.74 | ALDH1A1 (0.64) | ALDH1A1KMT2ARAB9ACA12CA9 | |
| SCHEMBL17280822 | 0.74 | ALDH1A1 (0.64) | ALDH1A1KMT2ARAB9ACA12CA9 | |
| SCHEMBL6699242 | 0.74 | ALDH1A1 (0.64) | ALDH1A1KMT2ARAB9ACA12CA9 | |
| SCHEMBL29163025 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KMT2ARAB9ACA12CA9 | |
| SCHEMBL9340887 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KMT2ARAB9ACASP3CA12 | |
| SCHEMBL4482770 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KMT2ARAB9ACASP3CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5336780-A | 5-amino-1-hydroximoyl pyrazoles | AGFA GEVAERT AKTIENGESELLSCHAFT (DE) | 1994-08-09 | — | — | US | disclosed |