Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 9/20 | 0.37 |
| ▸ | ACSS2 | Q9NR19 | 2/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | ADA | P00813 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5679939 | 0.90 | CYP17A1 (0.44) | CYP17A1ACSS2SIRT2CYP3A4AKR1C3 | |
| SCHEMBL5682251 | 0.88 | LMNA (0.42) | ACSS2SIRT2AKR1C3AKR1C2LMNA | |
| SCHEMBL5752378 | 0.84 | CYP17A1 (0.43) | CYP17A1ACSS2SIRT2CYP3A4ADA | |
| SCHEMBL5750218 | 0.83 | CYP3A4 (0.39) | CYP17A1SIRT2CYP3A4SMN1; SMN2 | |
| SCHEMBL5750054 | 0.83 | CYP3A4 (0.49) | CYP17A1SIRT2CYP3A4MAPT | |
| SCHEMBL4026360 | 0.83 | CYP3A4 (0.42) | CYP17A1ACSS2SIRT2CYP3A4 | |
| SCHEMBL4024238 | 0.82 | ACSS2 (0.47) | CYP17A1ACSS2SIRT2CYP3A4 | |
| SCHEMBL1414924 | 0.82 | CYP3A4 (0.52) | CYP17A1ACSS2SIRT2CYP3A4 | |
| SCHEMBL5752917 | 0.81 | CYP17A1 (0.46) | CYP17A1ACSS2SIRT2CYP3A4 | |
| SCHEMBL5747757 | 0.81 | CYP3A4 (0.41) | CYP17A1SIRT2CYP3A4 |
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-1073640-A1 | NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054309-A1 | NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-28 | — | — | WO | disclosed |