Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304213 | 0.77 | HPGD (0.50) | ALDH1A1GAAHDAC3HDAC4HDAC1 | |
| SCHEMBL28134429 | 0.75 | MTNR1A (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4387054 | 0.72 | HPGD (0.41) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14297322 | 0.71 | ATM (0.45) | ALDH1A1GAAHPGDDRD2KMT2A | |
| SCHEMBL9238659 | 0.71 | DHODH (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL15758573 | 0.70 | HPGD (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4822121 | 0.70 | CYP1A2 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27581667 | 0.69 | MAOB (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6834578 | 0.69 | HDAC3 (0.41) | ALDH1A1GAAHDAC3HDAC1HDAC2 | |
| SCHEMBL8089401 | 0.67 | HRH3 (0.46) | HPGDTSHRAOC2MAOAMAOB |
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-0652214-A1 | N-Aryl-2-cyano-3-hydroxy propenamide derivatives, a method for their preparation, their use as medicaments and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1995-05-10 | — | — | EP | disclosed |