Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | PGR | P06401 | 6/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP9 | P55211 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9265375 | 0.81 | PGR (0.42) | CES1BCHEALDH1A1KDM4EHPGD | |
| SCHEMBL29901667 | 0.80 | HTR2A (0.61) | HTR2AMAOAMAOB | |
| SCHEMBL8816862 | 0.80 | HTR2A (0.61) | HTR2AMAOAMAOB | |
| SCHEMBL30843843 | 0.78 | HTR2A (0.59) | HTR2A | |
| SCHEMBL5740020 | 0.76 | HTR2A (0.48) | ALDH1A1HTR2AMAOAMEN1KMT2A | |
| SCHEMBL29522682 | 0.73 | MEN1 (0.52) | CES1BCHEALDH1A1KDM4EHTR2A | |
| SCHEMBL12997894 | 0.73 | MEN1 (0.52) | CES1BCHEALDH1A1KDM4EHTR2A | |
| SCHEMBL1855552 | 0.73 | MEN1 (0.52) | CES1BCHEALDH1A1KDM4EHTR2A | |
| SCHEMBL12997896 | 0.73 | MEN1 (0.52) | CES1BCHEALDH1A1KDM4EHTR2A | |
| SCHEMBL31070117 | 0.73 | — | — |
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-2017095086-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | 주식회사 두산 | 2017-06-08 | — | — | WO | disclosed |