Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13738738 | 0.83 | PTPN1 (0.44) | DHFRHPGDHSD17B3 | |
| SCHEMBL15780876 | 0.80 | MAPK8 (0.40) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29955523 | 0.78 | RECQL (0.41) | CYP1A2ALDH1A1CYP2C19HPGDHSD17B10 | |
| SCHEMBL29955063 | 0.74 | LIPG (0.44) | ALDH1A1HPGDHSD17B10LIPGHSD17B3 | |
| SCHEMBL5201679 | 0.71 | LIPG (0.35) | CYP1A2ALDH1A1CYP2C19CYP2D6HPGD | |
| SCHEMBL13737929 | 0.71 | PPARA (0.47) | ALDH1A1 | |
| SCHEMBL12748865 | 0.70 | CYP1A2 (0.59) | CYP1A2ALDH1A1CYP2A6HPGDHSD17B10 | |
| SCHEMBL7587851 | 0.69 | CYP2D6 (0.59) | CYP1A2ALDH1A1CYP2C19CYP2D6HPGD | |
| SCHEMBL20362787 | 0.69 | CYP2D6 (0.74) | CYP1A2ALDH1A1CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL4460221 | 0.69 | CYP2D6 (0.50) | CYP1A2CYP2C19CYP2D6HSD17B10LIPG |
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-2013058824-A1 | MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME | CORNELL UNIVERSITY (US) | 2013-04-25 | — | — | WO | disclosed |