Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.30 |
| ▸ | RORC | P51449 | 3/20 | 0.30 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24195934 | 0.74 | CYP17A1 (0.39) | CYP17A1CNR2BRAFP2RX3 | |
| SCHEMBL5420207 | 0.72 | CYP17A1 (0.37) | CYP17A1CNR2CA12CA1CA9 | |
| SCHEMBL4649319 | 0.69 | ALDH1A1 (0.44) | DRD2 | |
| SCHEMBL943944 | 0.66 | CYP17A1 (0.33) | CYP17A1CD274 | |
| SCHEMBL25901668 | 0.64 | IDO1 (0.34) | PRMT5WDR77CNR2DRD2ABL1 | |
| SCHEMBL14725520 | 0.64 | CYP17A1 (0.48) | CYP17A1GPR119CNR2CA12CA1 | |
| SCHEMBL26112645 | 0.64 | DRD2 (0.43) | CYP17A1PRMT5WDR77DPP8DPP9 | |
| SCHEMBL25321588 | 0.64 | CYP17A1 (0.33) | CYP17A1 | |
| SCHEMBL24509637 | 0.63 | CYP17A1 (0.39) | CYP17A1CD274 | |
| SCHEMBL31064570 | 0.63 | TP53 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1667989-A4 | SUBSTITUTED ISOQUINOLINONES | PORTOLA PHARM INC (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1667989-A1 | SUBSTITUTED ISOQUINOLINONES | Portola Pharmaceuticals, Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005035520-A1 | SUBSTITUTED ISOQUINOLINONES | PORTOLA PHARMACEUTICALS, INC. (US) | 2005-04-21 | — | — | WO | disclosed |