Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21814508 | 0.89 | ALDH1A1 (0.34) | ALDH1A1ALDH3A1ALDH1A3HPGDL3MBTL1 | |
| SCHEMBL28562469 | 0.75 | ACHE (0.38) | ALDH1A1ALDH3A1ALDH1A3HPGDMAPK1 | |
| SCHEMBL21814514 | 0.69 | HCAR3 (0.35) | ALDH1A1ALDH3A1ALDH1A3MAPK1CYP3A4 | |
| SCHEMBL21819284 | 0.62 | ACHE (0.40) | ALDH1A1HPGDMAPK1TDP1MEN1 | |
| SCHEMBL14164413 | 0.61 | ALDH1A1 (0.33) | ALDH1A1ALDH3A1ALDH1A3HPGDL3MBTL1 | |
| SCHEMBL20500904 | 0.58 | ALDH1A3 (0.37) | ALDH1A1ALDH3A1ALDH1A3HPGDL3MBTL1 | |
| SCHEMBL11884085 | 0.57 | S100B (0.41) | ALDH1A1ALDH3A1ALDH1A3HPGDL3MBTL1 | |
| Formaldehyde SCHEMBL28197258 | 0.57 | ALDH1A1 (0.65) | ALDH1A1ALDH3A1ALDH1A3HPGDL3MBTL1 | |
| SCHEMBL14283536 | 0.57 | ALDH1A1 (0.50) | ALDH1A1ALDH3A1ALDH1A3HPGDL3MBTL1 | |
| SCHEMBL1735497 | 0.57 | ALDH1A1 (0.74) | ALDH1A1ALDH3A1ALDH1A3HPGDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5502214-A | OXIDATION OF CATECHOL WITH OXIDANT, NUCLEOPHILIC REAGENT AND METAL CATALYST | DANA FARBER CANCER INSTITUTE (US) | 1996-03-26 | — | — | US | disclosed |
| WO-1995003267-A9 | 1,2-BENZOQUINONES | — | 1995-06-15 | — | — | WO | disclosed |
| WO-1995003267-A1 | 1,2-BENZOQUINONES | DANA-FARBER CANCER INSTITUTE (US) | 1995-02-02 | — | — | WO | disclosed |