Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 3/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 3/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18024067 | 0.87 | CYP17A1 (0.46) | CYP17A1BRAFSLC40A1CTSSCTSK | |
| SCHEMBL18595670 | 0.84 | PSIP1 (0.45) | CYP2C9KDM4EALDH1A1GAAMAPT | |
| SCHEMBL18595668 | 0.84 | CYP17A1 (0.39) | CYP17A1BRAFCTSSCTSKADRA2A | |
| SCHEMBL19257395 | 0.81 | CYP17A1 (0.37) | CYP17A1BRAFCTSSCTSKADRA2A | |
| SCHEMBL18595671 | 0.74 | CYP17A1 (0.41) | CYP17A1BRAFCTSSCTSKADRA2A | |
| SCHEMBL19257097 | 0.72 | CYP17A1 (0.39) | CYP17A1BRAFCTSSCTSKADRA2A | |
| SCHEMBL17996189 | 0.70 | PSIP1 (0.42) | ALDH1A1HPGDPSIP1 | |
| SCHEMBL18595669 | 0.68 | BRD4 (0.44) | CYP2C9KDM4EALDH1A1GAAMAPT | |
| SCHEMBL27688260 | 0.68 | NOS3 (0.35) | ADRA2AFFAR1 | |
| SCHEMBL19748091 | 0.68 | PSIP1 (0.44) | BRAFMEN1KMT2AALDH1A1HPGD |
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-2016130501-A1 | AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS | INCYTE CORPORATION (US) | 2016-08-18 | — | — | WO | disclosed |