Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6447368 | 0.80 | TSHR (0.42) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL29585248 | 0.79 | GAA (0.56) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL2012586 | 0.79 | GAA (0.56) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL15547708 | 0.78 | KIF11 (0.47) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL7544397 | 0.76 | TSHR (0.63) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL22749425 | 0.71 | CASP1 (0.52) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL29937844 | 0.71 | CASP1 (0.52) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL396982 | 0.71 | ALDH1A1 (0.54) | TSHRCASP1GAAPOLBKDM4E | |
| SCHEMBL28844879 | 0.70 | TSHR (0.38) | TSHRCASP1GAAPOLBGLA | |
| SCHEMBL21769212 | 0.69 | CASP1 (0.45) | TSHRCASP1GAAPOLBKDM4E |
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-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |