Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3563633 | 0.80 | APP (0.50) | CASP3ALDH1A1MAPTSMN1; SMN2APP | |
| SCHEMBL3563637 | 0.80 | APP (0.50) | CASP3ALDH1A1MAPTSMN1; SMN2APP | |
| SCHEMBL3565159 | 0.75 | CASP3 (0.44) | CASP3ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL3565158 | 0.75 | CASP3 (0.44) | CASP3ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL11887932 | 0.73 | MAPT (0.54) | ALDH1A1MEN1KMT2APOLBUSP2 | |
| SCHEMBL28263 | 0.71 | CASP3 (0.81) | CASP3ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL29511191 | 0.71 | CASP3 (0.81) | CASP3ALDH1A1HPGDMEN1KMT2A | |
| Water SCHEMBL9398503 | 0.69 | CASP3 (0.77) | CASP3ALDH1A1HPGDMEN1KMT2A | |
| Hydrogen Sulfide SCHEMBL11121709 | 0.69 | CASP3 (0.77) | CASP3ALDH1A1HPGDMEN1KMT2A | |
| Iodide SCHEMBL30725965 | 0.69 | CASP3 (0.77) | CASP3ALDH1A1HPGDMEN1KMT2A |
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 |