Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.85 |
| ▸ | HPGD | P15428 | 4/20 | 0.85 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | TYMS | P04818 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL975376 | 0.92 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL29383750 | 0.92 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL254908 | 0.81 | ALDH1A1 (0.72) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL27801274 | 0.80 | ALDH1A1 (0.78) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL598499 | 0.78 | TSHR (1.00) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL30352929 | 0.78 | TSHR (1.00) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL21969015 | 0.76 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL30001721 | 0.75 | TSHR (0.94) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL4846405 | 0.75 | TSHR (0.94) | ALDH1A1HPGDKDM4ECYP3A4TSHR | |
| SCHEMBL29862055 | 0.75 | KDM4E (0.59) | ALDH1A1HPGDKDM4ECYP3A4TSHR |
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-2012017977-A1 | NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME | CANON KABUSHIKI KAISHA (JP) | 2012-02-09 | — | — | WO | disclosed |