Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7888214 | 0.88 | ABCB1 (0.38) | ABCB1CA2CA9SLC7A5HSD11B1 | |
| SCHEMBL7887287 | 0.82 | CTSB (0.42) | ABCB1CA2CA9SLC7A5HSD11B1 | |
| SCHEMBL19015802 | 0.82 | CTSB (0.42) | ABCB1CA2CA9SLC7A5HSD11B1 | |
| SCHEMBL18781756 | 0.75 | ABCB1 (0.38) | ABCB1CA2CA9HSD11B1CA12 | |
| SCHEMBL7746226 | 0.75 | HSD11B1 (0.44) | ABCB1CA2CA9HSD11B1ALDH1A1 | |
| SCHEMBL7355457 | 0.74 | TSHR (0.39) | ABCB1CA2CA9ALDH1A1LMNA | |
| SCHEMBL7355451 | 0.74 | TSHR (0.39) | ABCB1CA2CA9ALDH1A1LMNA | |
| SCHEMBL6504669 | 0.74 | SLC1A2 (0.47) | ABCB1CA2CA9CA12CA14 | |
| SCHEMBL19015928 | 0.73 | ABCB1 (0.40) | ABCB1CA2CA9HSD11B1CA12 | |
| SCHEMBL7885855 | 0.72 | PPARG (0.40) | ABCB1CA2CA9CA12CA1 |
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-2009140765-A1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | NEW WORLD LABORATORIES INC. (CA) | 2009-11-26 | — | — | WO | disclosed |