Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | PDE5A | O76074 | 7/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL20606943 | 0.74 | ALDH1A1 (0.37) | KDM4EL3MBTL1MAPTKMT2AALDH1A1 | |
| SCHEMBL2047755 | 0.73 | ALDH1A1 (0.45) | KDM4EL3MBTL1KMT2AALDH1A1PGK1 | |
| SCHEMBL29549875 | 0.73 | ALDH1A1 (0.45) | KDM4EL3MBTL1KMT2AALDH1A1PGK1 | |
| SCHEMBL14135244 | 0.73 | KMO (0.34) | — | |
| SCHEMBL29549876 | 0.73 | ALDH1A1 (0.45) | KDM4EL3MBTL1KMT2AALDH1A1PGK1 | |
| SCHEMBL12093320 | 0.71 | PGK1 (0.36) | KDM4EL3MBTL1MAPTALDH1A1PGK1 | |
| SCHEMBL22042633 | 0.69 | CYP3A4 (0.37) | KDM4EL3MBTL1MAPTALDH1A1PGK1 | |
| SCHEMBL15687643 | 0.69 | GAA (0.42) | KDM4EPDE5AL3MBTL1ALDH1A1PGK1 | |
| SCHEMBL21940288 | 0.69 | ALDH1A1 (0.35) | KDM4EMAPTKMT2AALDH1A1HPGD | |
| SCHEMBL10368496 | 0.69 | NOTUM (0.31) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423445-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2020-04-01 | — | — | EP | disclosed |