Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.39 |
| ▸ | CA1 | P00915 | 8/20 | 0.39 |
| ▸ | CA9 | Q16790 | 7/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | IKBKB | O14920 | 2/20 | 0.32 |
| ▸ | CHUK | O15111 | 2/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28826606 | 0.74 | CA2 (0.42) | CA2CA1CA9CA12CDK8 | |
| SCHEMBL14061195 | 0.71 | CA2 (0.39) | CA2CA1CA9CA12CDK8 | |
| SCHEMBL516725 | 0.64 | CA1 (0.75) | CA2CA1CA9CA12CDK8 | |
| SCHEMBL31647172 | 0.64 | NR3C1 (0.33) | CA2CA1CA9CA12NR3C1 | |
| Hydrochloric Acid SCHEMBL19211662 | 0.63 | CA1 (0.73) | CA2CA1CA9CA12CDK8 | |
| SCHEMBL4805952 | 0.63 | GABRA1 (0.44) | — | |
| SCHEMBL10179821 | 0.62 | NR3C1 (0.39) | IKBKBCHUKNR3C1PGRNR3C2 | |
| SCHEMBL23685895 | 0.60 | AHR (0.42) | NR3C1PGR | |
| SCHEMBL14329071 | 0.60 | GABRA1 (0.38) | LMNA | |
| SCHEMBL14330927 | 0.60 | TRPA1 (0.34) | LMNA |
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-2012162365-A1 | SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-29 | — | — | WO | disclosed |