Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 4/20 | 0.36 |
| ▸ | SRC | P12931 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL364305 | 0.89 | ALDH1A1 (0.36) | ALDH1A1HPGDEGFRSRCKMT2A | |
| SCHEMBL367061 | 0.88 | KDM4E (0.43) | ALDH1A1KDM4EUSP2HPGDNPY5R | |
| SCHEMBL366186 | 0.88 | ALDH1A1 (0.39) | ALDH1A1HPGDEGFRSRCKMT2A | |
| SCHEMBL366442 | 0.85 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDEGFRSRC | |
| SCHEMBL366239 | 0.84 | PLA2G2A (0.41) | ALDH1A1HPGDKMT2AMEN1PLA2G2A | |
| SCHEMBL364389 | 0.84 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDEGFRSRC | |
| SCHEMBL366194 | 0.84 | CNR1 (0.35) | ALDH1A1KDM4EHPGDEGFRSRC | |
| SCHEMBL367569 | 0.83 | SRC (0.46) | ALDH1A1KDM4EHPGDEGFRSRC | |
| SCHEMBL365488 | 0.81 | PARP1 (0.41) | ALDH1A1HPGDEGFRSRCHDAC6 | |
| SCHEMBL367619 | 0.81 | ALDH1A1 (0.39) | ALDH1A1HPGDPLA2G2ACNR2 |
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 |