Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6011543 | 0.79 | PDE5A (0.57) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL3621787 | 0.76 | ALDH1A1 (0.67) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL17322899 | 0.76 | HSD17B10 (0.51) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL5558950 | 0.74 | PDE5A (0.60) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL5559697 | 0.74 | PDE5A (0.57) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL9864880 | 0.74 | CNR1 (0.55) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL15052361 | 0.73 | PDPK1 (0.41) | CYP1A2KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL13865190 | 0.73 | CYP2D6 (0.57) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL16160274 | 0.73 | ALDH1A1 (0.51) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL5565122 | 0.73 | PDE5A (0.58) | PDE5ACYP1A2CYP2D6CYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0934311-B1 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | disclosed |