Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | CASP3 | P42574 | 2/20 | 0.61 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.61 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.61 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.61 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3567605 | 1.00 | ALDH1A1 (0.61) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3563214 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3563218 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3568652 | 0.93 | ALDH1A1 (0.59) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3656779 | 0.93 | ALDH1A1 (0.59) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3568648 | 0.93 | ALDH1A1 (0.59) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3574269 | 0.93 | ALDH1A1 (0.59) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3575951 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL3575950 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4ECASP3SENP8SENP7 | |
| SCHEMBL2550387 | 0.81 | NR1H3 (0.81) | ALDH1A1KDM4ECASP3SENP8SENP7 |
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-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | claimed |