Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | MAP2K5 | Q13163 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6295970 | 0.87 | MAPK1 (0.47) | CES2CES1BCHEMAPK1PSMB5 | |
| SCHEMBL6292243 | 0.87 | MAPK1 (0.46) | CES2CES1MAPK1ADRB2ADRB1 | |
| SCHEMBL4861283 | 0.85 | MAPK1 (0.47) | CES2CES1BCHEMAPK1PSMB5 | |
| SCHEMBL4851679 | 0.84 | CES2 (0.44) | CES2CES1BCHEMAPK1PSMB5 | |
| SCHEMBL4862035 | 0.80 | KAT6A (0.45) | MAPK1ADRB2ADRB1ADRB3KAT6A | |
| SCHEMBL6295965 | 0.79 | CES2 (0.47) | CES2CES1BCHEKAT6AMAP2K1 | |
| SCHEMBL30184191 | 0.78 | GAA (0.53) | ADRB2ADRB1ADRB3GAATP53 | |
| SCHEMBL15296782 | 0.78 | HDAC3 (0.52) | MAPK1ADRB2ADRB1ADRB3GAA | |
| SCHEMBL29941199 | 0.78 | MAP2K1 (0.52) | CES2CES1BCHEKAT6AMAP2K1 | |
| SCHEMBL19279484 | 0.77 | CES2 (0.52) | CES2CES1BCHEKAT6AGAA |
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-6960614-B2 | Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids | WARNER-LAMBERT COMPANY (US) | 2005-11-01 | — | — | US | disclosed |