Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 3/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | SNCA | P37840 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3565074 | 1.00 | SCN2A (0.60) | SCN2AMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3576525 | 0.85 | MEN1 (0.57) | SCN2AMEN1KMT2AALDH1A1CA12 | |
| SCHEMBL3576527 | 0.85 | MEN1 (0.57) | SCN2AMEN1KMT2AALDH1A1CA12 | |
| SCHEMBL1973251 | 0.78 | SCN2A (1.00) | SCN2AMEN1KMT2AALDH1A1CA12 | |
| SCHEMBL30118348 | 0.78 | SCN2A (1.00) | SCN2AMEN1KMT2AALDH1A1CA12 | |
| SCHEMBL3575951 | 0.74 | ALDH1A1 (0.52) | SCN2AMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3575950 | 0.74 | ALDH1A1 (0.52) | SCN2AMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3563214 | 0.74 | ALDH1A1 (0.62) | SCN2AMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3563218 | 0.74 | ALDH1A1 (0.62) | SCN2AMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3565158 | 0.73 | CASP3 (0.44) | MEN1KMT2AALDH1A1SMN1; SMN2MAPT |
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 |