Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | HPGD | P15428 | 9/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.50 |
| ▸ | GAA | P10253 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 5/20 | 0.41 |
| ▸ | CASP1 | P29466 | 5/20 | 0.41 |
| ▸ | CASP7 | P55210 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL15867099 | 0.75 | MEN1 (0.34) | MAPTL3MBTL1 | |
| SCHEMBL9463889 | 0.73 | ALDH2 (0.60) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL21841899 | 0.72 | KDM4E (0.42) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL12388121 | 0.72 | ALDH1A1 (0.42) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL11453514 | 0.70 | ALDH1A1 (0.33) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL25989017 | 0.69 | — | — | |
| SCHEMBL22203764 | 0.68 | KDM4E (0.35) | KDM4ECYP3A4ALOX15ALOX12MAPK1 | |
| SCHEMBL24270279 | 0.67 | ALDH1A1 (0.81) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL25989014 | 0.67 | TLR3 (0.31) | — | |
| SCHEMBL21347860 | 0.66 | CYP3A4 (0.37) | KDM4EALDH1A1HPGDHSD17B10GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5216176-A | 7-alkoxycoumarins, dihydropsoralens, and benzodipyranones as photo-activated therapeutic agents and inhibitors of epidermal growth factor | LEHIGH UNIVERSITY (US) | 1993-06-01 | — | — | US | disclosed |