Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15275691 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL8579900 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL36629 | 0.82 | CYP1A2 (0.48) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL7173455 | 0.82 | CYP1A2 (0.48) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL2858359 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL13993130 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL28174698 | 0.80 | ALDH1A1 (0.50) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL7743285 | 0.79 | CYP1A2 (0.46) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL13539518 | 0.79 | KCNN4 (0.48) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| Methoxymethane SCHEMBL2856857 | 0.78 | KCNN4 (0.48) | ALDH1A1ALOX15ESR1ESR2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117946155-A | Metal complex, preparation method and application thereof, catalyst and application thereof and preparation method of asymmetric pinacol | 中国石油化工股份有限公司 | 2024-04-30 | — | — | CN | disclosed |