Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1168198 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL30282355 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1330156 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL15377824 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1334920 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL17955172 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| Formaldehyde SCHEMBL27725595 | 0.79 | ALDH1A1 (0.37) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL14703754 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL31243195 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL29812939 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4ECYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2335298-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | Merck Patent GmbH (DE) | 2011-06-22 | — | — | EP | disclosed |