Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 11/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14336221 | 0.84 | ALDH1A1 (0.46) | KDM4EALDH1A1GLAGAA | |
| SCHEMBL10272852 | 0.81 | PDGFRB (0.43) | CYP17A1ALDH1A1GLACYP11B1CYP11B2 | |
| SCHEMBL527037 | 0.81 | GAA (0.52) | CYP17A1LCKBTKMAP4K1KDM4E | |
| SCHEMBL10273708 | 0.80 | CYP17A1 (0.65) | CYP17A1 | |
| SCHEMBL502012 | 0.76 | ALDH1A1 (0.45) | KDM4EALDH1A1GLAGAA | |
| SCHEMBL13990328 | 0.75 | ALDH1A1 (0.39) | KDM4EALDH1A1GLAGAA | |
| SCHEMBL1408363 | 0.73 | ALDH1A1 (0.45) | KDM4EALDH1A1GLAGAA | |
| SCHEMBL5687575 | 0.73 | TSHR (0.50) | CYP17A1LCKBTKMAP4K1SIRT3 | |
| SCHEMBL15434658 | 0.73 | CCNC (0.42) | CCNCCDK8KDM4EALDH1A1GLA | |
| SCHEMBL30940160 | 0.73 | ALDH1A1 (0.45) | KDM4EALDH1A1GLAGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012015723-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-02 | — | — | WO | disclosed |