Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
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 | 1.00 | APP (0.50) | APPALDH1A1CASP3CYP1A2NR1H2 | |
| SCHEMBL3565158 | 0.88 | CASP3 (0.44) | APPALDH1A1CASP3KDM4EMAPT | |
| SCHEMBL3565159 | 0.88 | CASP3 (0.44) | APPALDH1A1CASP3KDM4EMAPT | |
| SCHEMBL3564987 | 0.82 | APP (0.46) | APPALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL3564990 | 0.82 | APP (0.46) | APPALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL15080557 | 0.81 | ALDH1A1 (0.53) | APPALDH1A1NR1H2NR1H3EP300 | |
| SCHEMBL3565087 | 0.80 | CASP3 (0.45) | APPALDH1A1CASP3NR1H2NR1H3 | |
| SCHEMBL3566379 | 0.79 | KDM4E (0.44) | ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL3566377 | 0.79 | KDM4E (0.44) | ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL3571316 | 0.76 | HPGD (0.58) | ALDH1A1CASP3NR1H2NR1H3KDM4E |
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 |