Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | DHODH | Q02127 | 2/20 | 0.36 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9613107 | 0.98 | MAPK9 (0.41) | COMTMAPK9MAPK10HTR2BHTR5A | |
| SCHEMBL9613110 | 0.91 | MAPK9 (0.44) | MAPK9MAPK10HTR2BHTR5APTGS1 | |
| SCHEMBL9612842 | 0.86 | PTGS2 (0.50) | COMTALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL10017012 | 0.83 | PTGS1 (0.40) | COMTALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL15977407 | 0.80 | MAPK9 (0.45) | MAPK9MAPK10HTR2BHTR5AALDH1A1 | |
| SCHEMBL10017011 | 0.79 | MAPK9 (0.40) | COMTMAPK9MAPK10ALDH1A1CYP1A2 | |
| SCHEMBL9612985 | 0.78 | COMT (0.45) | COMTALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL27955876 | 0.78 | CYP1A2 (0.44) | ALDH1A1CYP1A2CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL9612864 | 0.78 | CTRC (0.40) | ALDH1A1CYP1A2CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL22978420 | 0.78 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP3A4HPGDSMN1; SMN2 |
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-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |