Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | OGG1 | O15527 | 1/20 | 0.44 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9505528 | 0.81 | KDM4E (0.53) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL2949569 | 0.78 | HPGD (0.46) | ALDH1A1KDM4ECYP1A2KMT2AHPGD | |
| SCHEMBL5638039 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL1598809 | 0.76 | HSD17B10 (0.67) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL29525161 | 0.76 | HSD17B10 (0.67) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL1356985 | 0.75 | CYP1A2 (0.54) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL3048393 | 0.73 | KMT2A (0.46) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL16933412 | 0.73 | PPARG (0.64) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL2922977 | 0.73 | PPARG (0.64) | ALDH1A1HSD17B10MAPK1PGRGAA | |
| SCHEMBL16933413 | 0.73 | PPARG (0.64) | ALDH1A1HSD17B10MAPK1PGRGAA |
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-5977105-A | Compounds | ASTRA PHARMAEUTICALS LTD. (GB) | 1999-11-02 | — | — | US | disclosed |
| EP-0865431-A2 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020815-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-06-12 | — | — | WO | disclosed |