Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 2/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL366239 | 0.92 | PLA2G2A (0.41) | ALDH1A1CYP1A2HPGDPLA2G2ALMNA | |
| SCHEMBL366838 | 0.88 | ALDH1A1 (0.41) | ALDH1A1EGFRHPGDSRCPLA2G2A | |
| SCHEMBL364305 | 0.87 | ALDH1A1 (0.36) | ALDH1A1EGFRHPGDSRCPLA2G2A | |
| SCHEMBL365488 | 0.84 | PARP1 (0.41) | ALDH1A1EGFRHPGDSRCHDAC1 | |
| SCHEMBL367619 | 0.84 | ALDH1A1 (0.39) | ALDH1A1HPGDPLA2G2ACNR2 | |
| SCHEMBL366442 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4EGFRHPGD | |
| SCHEMBL364862 | 0.82 | EGFR (0.56) | ALDH1A1CYP1A2HSD17B10EGFRHPGD | |
| SCHEMBL366300 | 0.82 | CNR2 (0.38) | ALDH1A1EGFRHPGDSRCHDAC1 | |
| SCHEMBL364389 | 0.82 | ALDH1A1 (0.48) | ALDH1A1EGFRHPGDSRCLMNA | |
| SCHEMBL365469 | 0.82 | PLA2G2A (0.39) | ALDH1A1HPGDPLA2G2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | claimed |
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | disclosed |