Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RIOK2 | Q9BVS4 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6128802 | 0.93 | HDAC3 (0.43) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL2678820 | 0.90 | MEN1 (0.42) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL2678140 | 0.89 | HDAC3 (0.46) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL2679120 | 0.88 | HDAC3 (0.38) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL2678111 | 0.87 | MTNR1A (0.40) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL2678527 | 0.86 | MTNR1A (0.39) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL6128580 | 0.86 | HDAC3 (0.40) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL2679366 | 0.86 | KDR (0.42) | HDAC3NCOR1HDAC2SMN1; SMN2AKT1 | |
| SCHEMBL6128566 | 0.85 | HDAC3 (0.46) | HDAC3NCOR1HDAC2PIK3CAPIK3CG | |
| SCHEMBL2178808 | 0.85 | CASP2 (0.41) | HDAC3NCOR1HDAC2PIK3CAPIK3CG |
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-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | claimed |