Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | SRC | P12931 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLR1A | O95602 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL366455 | 0.89 | EGFR (0.48) | EGFRSRCKDM4EALDH1A1HPGD | |
| SCHEMBL366536 | 0.86 | EGFR (0.53) | EGFRSRCKDM4EALDH1A1HPGD | |
| Potassium Ion SCHEMBL364977 | 0.84 | EGFR (0.51) | EGFRSRCKDM4EALDH1A1HPGD | |
| SCHEMBL361357 | 0.84 | EGFR (0.51) | EGFRSRCKDM4EALDH1A1HPGD | |
| SCHEMBL366186 | 0.82 | ALDH1A1 (0.39) | EGFRSRCALDH1A1HPGDHSD17B10 | |
| SCHEMBL364861 | 0.82 | EGFR (0.51) | EGFRSRCKDM4EALDH1A1HPGD | |
| SCHEMBL366296 | 0.82 | EGFR (0.48) | EGFRSRCKDM4EALDH1A1HPGD | |
| SCHEMBL365488 | 0.81 | PARP1 (0.41) | EGFRSRCALDH1A1HPGDPOLR1A | |
| SCHEMBL366838 | 0.80 | ALDH1A1 (0.41) | EGFRSRCKDM4EALDH1A1HPGD | |
| SCHEMBL366239 | 0.80 | PLA2G2A (0.41) | ALDH1A1HPGDCYP1A2CYP2D6LMNA |
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 |