Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 5/20 | 0.36 |
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9203151 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HTTCDK2CDK1CCNB1 | |
| SCHEMBL21334364 | 0.71 | ALDH1A1 (0.41) | ALDH1A1HTTMAP3K5CDK2CDK1 | |
| SCHEMBL10441257 | 0.69 | BRD4 (0.42) | ALDH1A1CDK2CDK1CCNB1CCNA2 | |
| SCHEMBL23771325 | 0.68 | ALDH1A1 (0.50) | ALDH1A1HTTMAP3K5CDK2NPC1 | |
| SCHEMBL24995901 | 0.68 | CDK2 (0.43) | MAP3K5CDK2CDK1CCNB1CCNA2 | |
| SCHEMBL19851801 | 0.66 | NOS3 (0.31) | ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL8691506 | 0.64 | BRD4 (0.38) | ALDH1A1HTTMAP3K5CDK2CDK1 | |
| SCHEMBL12338166 | 0.64 | CYP1A2 (0.39) | ALDH1A1KDM4EHSD17B10LMNA | |
| SCHEMBL10274929 | 0.63 | LRRK2 (0.52) | ALDH1A1HTTMAP3K5CDK2TP53 | |
| SCHEMBL2930055 | 0.63 | HSD17B10 (0.56) | HTTMAP3K5CDK2NPC1RAB9A |
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-0400974-A2 | Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists | MERCK & CO. INC. (US) | 1990-12-05 | — | — | EP | disclosed |