Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 8/20 | 0.45 |
| ▸ | CA2 | P00918 | 8/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | CA5A | P35218 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.41 |
| ▸ | CA3 | P07451 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28455171 | 0.79 | HSD17B10 (0.48) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL2046051 | 0.78 | CA1 (0.51) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL395484 | 0.78 | HSD17B10 (0.47) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL7865942 | 0.75 | HSD11B1 (0.49) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL10477978 | 0.74 | CA1 (0.42) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL2815328 | 0.72 | ALDH1A1 (0.48) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL397351 | 0.70 | HSD17B10 (0.56) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL677959 | 0.70 | HSD17B10 (0.56) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL1538287 | 0.70 | HSD17B10 (0.56) | HSD11B1CA1CA2CA9CA5A | |
| SCHEMBL6671840 | 0.70 | HSD17B10 (0.56) | HSD11B1CA1CA2CA9CA5A |
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 |