Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8901762 | 0.89 | NQO1 (0.38) | NQO1ALDH1A1KDM4EHSD17B10MAPK1 | |
| SCHEMBL8901552 | 0.89 | NQO1 (0.38) | NQO1ALDH1A1KDM4EHSD17B10MAPK1 | |
| SCHEMBL8902600 | 0.87 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1KDM4EHSD17B10GAA | |
| SCHEMBL8902842 | 0.87 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1KDM4EHSD17B10GAA | |
| SCHEMBL8903047 | 0.86 | NQO1 (0.40) | NQO1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL8903328 | 0.86 | NQO1 (0.40) | NQO1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9755794 | 0.85 | NQO1 (0.42) | NQO1 | |
| SCHEMBL8901797 | 0.80 | KDM4E (0.35) | ALDH1A1KDM4EHSD17B10GAAMAPK1 | |
| SCHEMBL8903420 | 0.80 | KDM4E (0.35) | ALDH1A1KDM4EHSD17B10GAAMAPK1 | |
| SCHEMBL8903879 | 0.78 | KDM4E (0.36) | ALDH1A1L3MBTL1KDM4EHSD17B10GAA |
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-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |