Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL365666 | 0.91 | HPGD (0.52) | ALDH1A1HPGDKDM4EHSD17B10TP53 | |
| SCHEMBL365750 | 0.91 | POLB (0.46) | ALDH1A1HPGDKDM4EHSD17B10TP53 | |
| Potassium Ion SCHEMBL366534 | 0.89 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EHSD17B10TP53 | |
| SCHEMBL361357 | 0.88 | EGFR (0.51) | ALDH1A1HPGDKDM4EHSD17B10TP53 | |
| SCHEMBL364234 | 0.88 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4EHSD17B10TP53 | |
| SCHEMBL364265 | 0.84 | NR4A2 (0.46) | ALDH1A1KDM4EGAAEGFRSRC | |
| SCHEMBL364927 | 0.84 | SRC (0.51) | ALDH1A1KDM4EGAAEGFRSRC | |
| SCHEMBL366488 | 0.83 | NR4A2 (0.45) | ALDH1A1KDM4EGAAEGFRSRC | |
| SCHEMBL366141 | 0.82 | NR4A2 (0.44) | ALDH1A1KDM4EGAAEGFRSRC | |
| SCHEMBL364295 | 0.82 | HPGD (0.47) | ALDH1A1HPGDKDM4EHSD17B10TP53 |
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 3 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 |
| WO-2012007008-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | disclosed |