Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | PDE5A | O76074 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7261557 | 0.85 | PDE5A (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7266328 | 0.79 | MEN1 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7262666 | 0.75 | PDE5A (0.38) | ALDH1A1HSD17B10ALOX15PDE5AKDM4E | |
| SCHEMBL5259886 | 0.73 | HPGD (0.40) | CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL5258158 | 0.72 | GAA (0.40) | CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL7268476 | 0.72 | MEN1 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7268684 | 0.71 | MAPT (0.70) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL12998480 | 0.69 | ULK1 (0.64) | ALDH1A1KMT2APGK1GAA | |
| SCHEMBL7286998 | 0.68 | PDE5A (0.72) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7268690 | 0.68 | PDE1B (0.57) | CYP3A4ALDH1A1TSHRHSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6613772-B1 | Drugs such as 2-(p-chlorophenyl-4-(4-hydroxybutyl)amino-6,7,8 -trimethoxyquinazoline used for activation of guanylate cyclase and modulation of cyclic guanosine monophosphate | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-09-02 | — | — | US | disclosed |