Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1261516 | 0.98 | TNKS2 (0.42) | TNKS2ARPDE3BPDE3AFEN1 | |
| SCHEMBL705758 | 0.79 | TNKS2 (0.45) | TNKS2ARPDE3BPDE3AFEN1 | |
| SCHEMBL30810554 | 0.79 | TNKS2 (0.45) | TNKS2ARPDE3BPDE3AFEN1 | |
| SCHEMBL706680 | 0.76 | PDE3B (0.43) | TNKS2ARPDE3BPDE3AFEN1 | |
| SCHEMBL8871948 | 0.74 | LMNA (0.54) | TNKS2PDE3BPDE3AFEN1PARP1 | |
| SCHEMBL30753031 | 0.72 | UPP1 (0.43) | TNKS2PDE3BPDE3AFEN1PARP1 | |
| SCHEMBL3860178 | 0.72 | KDM4E (0.45) | TNKS2ARPDE3BPDE3AHPGD | |
| SCHEMBL18496993 | 0.71 | SIRT2 (0.41) | TNKS2PDE3BPDE3AFEN1PARP1 | |
| SCHEMBL332886 | 0.69 | TDP1 (0.50) | TNKS2PDE3BPDE3APARP1HPGD | |
| SCHEMBL11307427 | 0.69 | AHR (0.45) | PARP1ALDH1A1HSD17B10 |
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-2018046684-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-{[2-(ALKOXYMETHYL)-3,3,3-TRIFLUORO-2-HYDROXY-1-PHENYLPROPYL]AMINO}QUINOLIN-2(1H)-ONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-03-15 | — | — | WO | disclosed |