Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 3/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 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 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL8330465 | 0.88 | PDE5A (0.39) | MAP2K4HCAR2PDE5AALDH1A1LMNA | |
| SCHEMBL163795 | 0.88 | HIF1A (0.44) | MAP2K4PDE5AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8329920 | 0.85 | PDE5A (0.44) | MAP2K4PDE5ASMN1; SMN2HIF1AEPAS1 | |
| SCHEMBL8330242 | 0.83 | MAP2K4 (0.39) | MAP2K4HCAR2PDE5AALDH1A1LMNA | |
| SCHEMBL8332364 | 0.79 | PDE5A (0.41) | MAP2K4PDE5AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8470062 | 0.79 | CYP1A2 (0.36) | MAP2K4PDE5AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8471597 | 0.77 | MAP2K1 (0.41) | MAP2K4PDE5AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8470284 | 0.77 | CYP2D6 (0.41) | MAP2K4ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL5971777 | 0.74 | PDE5A (0.45) | MAP2K4PDE5AALDH1A1LMNAKDM4E | |
| SCHEMBL8329288 | 0.71 | PDE5A (0.40) | MAP2K4PDE5AALDH1A1SMN1; SMN2KDM4E |
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 |