Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2934305 | 0.97 | AHR (0.58) | AHRCYP2A6MAPK1CSNK2A1BACE1 | |
| SCHEMBL29420036 | 0.97 | AHR (0.58) | AHRCYP2A6MAPK1CSNK2A1BACE1 | |
| SCHEMBL15653901 | 0.93 | AHR (0.60) | AHRCYP2A6MAPK1CSNK2A1BACE1 | |
| SCHEMBL8734809 | 0.79 | CYP2A6 (0.48) | AHRCYP2A6CSNK2A1BACE1PRKAB2 | |
| SCHEMBL10922908 | 0.79 | CSNK2A1 (0.48) | AHRCYP2A6MAPK1CSNK2A1BACE1 | |
| SCHEMBL11714090 | 0.79 | BACE1 (0.56) | AHRCYP2A6CSNK2A1BACE1PRKAB2 | |
| SCHEMBL20661350 | 0.78 | CYP2A6 (0.52) | CYP2A6MAPK1CSNK2A1BACE1PRKAB2 | |
| SCHEMBL4449938 | 0.77 | AHR (0.65) | AHRCYP2A6MAPK1CYP1A2TP53 | |
| SCHEMBL29801189 | 0.77 | AHR (0.65) | AHRCYP2A6MAPK1CYP1A2TP53 | |
| SCHEMBL24731021 | 0.76 | MAPK1 (0.50) | AHRCYP2A6MAPK1CSNK2A1BACE1 |
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-1882713-B1 | CURABLE COMPOSITION | MITSUBISHI GAS CHEMICAL CO (JP) | 2013-07-03 | — | — | EP | disclosed |
| EP-1882713-A1 | CURABLE COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-01-30 | — | — | EP | disclosed |