Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL6041141 | 0.74 | KIT (0.51) | CYP17A1ALDH1A1KITTNNI3K | |
| SCHEMBL1265232 | 0.73 | TEK (0.55) | CYP17A1ALDH1A1GPR119KITMAPT | |
| SCHEMBL4904242 | 0.68 | KIT (0.56) | ALDH1A1KIT | |
| SCHEMBL1264582 | 0.64 | TEK (0.62) | CYP17A1HTTALDH1A1SMN1; SMN2 | |
| SCHEMBL4892544 | 0.64 | KIT (0.69) | KIT | |
| SCHEMBL17174222 | 0.63 | CES1 (0.66) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL2118369 | 0.61 | ALDH1A1 (0.56) | HTTALDH1A1MAPTCYP3A4CYP2D6 | |
| SCHEMBL7175892 | 0.61 | CES1 (0.62) | ALDH1A1MAPTGAATP53SMN1; SMN2 | |
| SCHEMBL526786 | 0.61 | CYP17A1 (0.59) | CYP17A1HTTALDH1A1KITMAPT | |
| SCHEMBL3064389 | 0.59 | CES1 (0.54) | CYP17A1ALDH1A1KITMAPTGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1751136-A2 | NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER | AMGEN INC. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005113494-A2 | NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER | AMGEN INC. (US) | 2005-12-01 | — | — | WO | disclosed |