Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.49 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.49 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | UGCG | Q16739 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28044194 | 0.83 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDPDE5AAURKA | |
| SCHEMBL27526791 | 0.81 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDPDE5AAURKA | |
| SCHEMBL176249 | 0.79 | ALDH1A1 (0.47) | ENPP2ALDH1A1ORAI1ORAI2ORAI3 | |
| SCHEMBL6065171 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDPDE5AAURKA | |
| SCHEMBL1207531 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDPDE5AAURKA | |
| SCHEMBL22717355 | 0.77 | KMT2A (0.50) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL29575477 | 0.77 | KMT2A (0.50) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL14015084 | 0.77 | ENPP2 (0.69) | ENPP2ALDH1A1ORAI1ORAI2ORAI3 | |
| SCHEMBL2714237 | 0.77 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2HPGDPDE5AAURKA | |
| SCHEMBL29983606 | 0.77 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HPGDPDE5AAURKA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108602812-B | Bicyclic hydroxamic acids useful as inhibitors of histone deacetylase activity in mammals | 坎塞拉有限公司 | 2021-11-02 | — | — | CN | disclosed |