Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11356552 | 0.82 | CASP3 (0.44) | MEN1ALDH1A1CYP2D6CYP2C9MAPK1 | |
| SCHEMBL28799601 | 0.76 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL28115345 | 0.74 | ALDH1A1 (0.48) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL28262971 | 0.72 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL27660034 | 0.71 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL10891239 | 0.71 | CASP3 (0.55) | SLC6A2SLC6A3OPRK1KCNH2MEN1 | |
| SCHEMBL1318306 | 0.71 | SSTR4 (0.51) | ALDH1A1 | |
| SCHEMBL5870658 | 0.71 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL8552958 | 0.70 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL10454835 | 0.70 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3MLNRADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101466670-B | Inhibitors of histone deacetylase | METHYLGENE INC | 2013-04-17 | — | — | CN | claimed |
| CN-101466670-B | Inhibitors of histone deacetylase | METHYLGENE INC | 2013-04-17 | — | — | CN | disclosed |
| CN-101466670-A | Benzamide derivatives as inhibitors of histone deacetylase | METHYLGENE INC (CA) | 2009-06-24 | — | — | CN | disclosed |