Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL163795 | 0.85 | HIF1A (0.44) | PDE5ASMN1; SMN2MAP2K4MEN1KMT2A | |
| SCHEMBL8328669 | 0.85 | MAP2K4 (0.43) | PDE5ASMN1; SMN2MAP2K4HIF1AEPAS1 | |
| SCHEMBL8330242 | 0.80 | MAP2K4 (0.39) | PDE5ASMN1; SMN2FGFR1MAP2K4HTR6 | |
| SCHEMBL5971777 | 0.78 | PDE5A (0.45) | PDE5AMAP2K4HTR6MEN1KMT2A | |
| SCHEMBL8332364 | 0.77 | PDE5A (0.41) | PDE5ASMN1; SMN2MAP2K4HIF1AEPAS1 | |
| SCHEMBL8470062 | 0.77 | CYP1A2 (0.36) | PDE5ASMN1; SMN2FGFR1NPSR1MAP2K4 | |
| SCHEMBL8330465 | 0.73 | PDE5A (0.39) | PDE5ASMN1; SMN2MAP2K4HIF1AEPAS1 | |
| SCHEMBL5493286 | 0.73 | KDM4E (0.41) | SMN1; SMN2NPSR1MEN1KMT2AHIF1A | |
| SCHEMBL8470520 | 0.72 | CYP1A2 (0.39) | SMN1; SMN2FGFR1MAP2K4MEN1KMT2A | |
| SCHEMBL8329288 | 0.72 | PDE5A (0.40) | PDE5ASMN1; SMN2MAP2K4MEN1KMT2A |
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-0932403-A1 | USE OF CONDENSATED (HETARYL-SUBSTITUTED) 1-BENZAL-3-PYRAZOL DERIVATES FOR TREATING SPECIAL DISEASES OF THE CARDIOVASCULAR AND THE CENTRAL NERVOUS SYSTEMS | BAYER AG (DE) | 1999-08-04 | — | — | EP | claimed |
| WO-1998016223-A1 | USE OF CONDENSATED (HETARYL-SUBSTITUTED) 1-BENZAL-3-PYRAZOL DERIVATES FOR TREATING SPECIAL DISEASES OF THE CARDIOVASCULAR AND THE CENTRAL NERVOUS SYSTEMS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | claimed |