Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 6/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2979456 | 0.81 | CNR1 (0.42) | IP6K1ARNOTUMNR1H2NR1H3 | |
| SCHEMBL13244521 | 0.73 | CNR1 (0.42) | ARNOTUMNR1H2NR1H3FFAR4 | |
| SCHEMBL3711951 | 0.71 | HSD11B1 (0.44) | NOTUMSMN1; SMN2 | |
| SCHEMBL962246 | 0.70 | HTT (0.56) | IP6K1ARNOTUMSMN1; SMN2NPSR1 | |
| SCHEMBL2012912 | 0.69 | HTT (0.59) | IP6K1ARNOTUMSMN1; SMN2NPSR1 | |
| SCHEMBL2052714 | 0.68 | HSD11B1 (0.42) | IP6K1ARNOTUMCNR1CNR2 | |
| SCHEMBL2053813 | 0.67 | GAA (0.51) | IP6K1ARNOTUMSMN1; SMN2NPSR1 | |
| SCHEMBL2969960 | 0.67 | S100B (0.39) | IP6K1ARNOTUM | |
| SCHEMBL2978178 | 0.67 | HSD11B1 (0.45) | ARNOTUMCNR1CNR2 | |
| SCHEMBL2979182 | 0.66 | AR (0.40) | IP6K1ARNOTUM |
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 |