Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | NQO2 | P16083 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3430554 | 0.97 | ESR1 (0.47) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL3430983 | 0.97 | ESR1 (0.47) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL3430504 | 0.90 | NQO2 (0.49) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL24236835 | 0.89 | ESR1 (0.62) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL21517807 | 0.89 | ESR1 (0.62) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL248048 | 0.89 | ESR1 (0.62) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL8397012 | 0.85 | NQO2 (0.56) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL8397013 | 0.85 | NQO2 (0.56) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL10050780 | 0.84 | ESR1 (0.57) | ESR1ESR2NQO2MAPTTP53 | |
| SCHEMBL21517824 | 0.84 | ESR1 (0.57) | ESR1ESR2NQO2MAPTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8674347-B2 | Organic semiconductor material and organic thin-film transistor | KYUSHU INSTITUTE OF TECHNOLOGY (JP) | 2014-03-18 | — | — | US | disclosed |
| US-20120001162-A1 | ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR | KYUSHU INSTITUTE OF TECHNOLOGY (JP) | 2012-01-05 | — | — | US | disclosed |