Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15356444 | 0.87 | PLK1 (0.51) | PLK1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL9364255 | 0.84 | MAPT (0.57) | HPGDALDH1A1LMNASMN1; SMN2MAPT | |
| SCHEMBL22838519 | 0.83 | PLK1 (0.53) | PLK1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL9428447 | 0.82 | CA12 (0.62) | ALDH1A1LMNAMAPK1TSHRCYP1A2 | |
| SCHEMBL4151619 | 0.80 | CYP1A2 (0.66) | PLK1HPGDALDH1A1CCNCCDK8 | |
| SCHEMBL15342989 | 0.79 | PLK1 (0.53) | PLK1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL17758615 | 0.78 | SLC6A2 (0.56) | PLK1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL9103250 | 0.77 | TAS1R3 (0.56) | PLK1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL5758000 | 0.77 | MEN1 (0.68) | PLK1HPGDALDH1A1MAPTALOX15 | |
| SCHEMBL72600 | 0.76 | PLK1 (0.53) | PLK1SLC6A2SLC6A4SLC6A3HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015058031-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-23 | — | — | WO | disclosed |