Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL1952935 | 0.87 | NCEH1 (0.48) | NCEH1MEN1KMT2AALDH1A1MTNR1A | |
| SCHEMBL2039622 | 0.82 | PPARA (0.47) | MTNR1AMTNR1BKDM4EHPGDHSD17B10 | |
| SCHEMBL1838611 | 0.80 | PPARA (0.48) | NCEH1KDM4EHPGDHSD17B10PPARA | |
| SCHEMBL29580693 | 0.79 | NCEH1 (0.48) | NCEH1MEN1KMT2AALDH1A1CTRC | |
| SCHEMBL1841724 | 0.79 | NCEH1 (0.48) | NCEH1MEN1KMT2AALDH1A1CTRC | |
| SCHEMBL1836474 | 0.76 | PPARA (0.53) | PPARATHRATHRBALOX5 | |
| SCHEMBL3233552 | 0.76 | INPPL1 (0.39) | NCEH1CTRC | |
| SCHEMBL1840051 | 0.75 | NCEH1 (0.45) | NCEH1ALDH1A1KDM4EHPGDPPARA | |
| SCHEMBL1839342 | 0.75 | PPARA (0.56) | PPARATHRATHRBALOX5 | |
| SCHEMBL1836653 | 0.75 | PPARA (0.56) | PPARATHRATHRBALOX5 |
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 |