Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | LDHA | P00338 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890166 | 0.86 | PDE5A (0.52) | PDE5ACASP6CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL11734758 | 0.85 | CASP6 (0.62) | CASP6KDM4EALDH1A1KMT2AAPP | |
| SCHEMBL8890399 | 0.84 | CASP6 (0.52) | CASP6APPBCHEACHERAD52 | |
| SCHEMBL8890767 | 0.81 | POLB (0.61) | CASP6ALDH1A1MAPK1APPBCHE | |
| Hydrochloric Acid SCHEMBL8890527 | 0.81 | POLB (0.64) | CASP6ALDH1A1MAPK1APPBCHE | |
| SCHEMBL8898526 | 0.77 | CYP1A2 (0.50) | PDE5ACASP6CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL8893524 | 0.77 | NPY5R (0.70) | ALOX15MAPK1TSHRAPPACHE | |
| SCHEMBL4779679 | 0.77 | APP (0.71) | CYP1A2CYP3A4HSD17B10KDM4ECYP2C19 | |
| SCHEMBL8892545 | 0.77 | NPY5R (0.70) | ALOX15MAPK1TSHRAPPACHE | |
| SCHEMBL6039582 | 0.77 | NPY5R (0.70) | ALOX15MAPK1TSHRAPPACHE |
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-1997020821-A1 | HETEROARYL DERIVATIVES | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |