Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 6/20 | 0.40 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 3/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP9 | P55211 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL7887501 | 1.00 | ABCB1 (0.44) | ABCB1MMP13CTSKCASP3CTSL | |
| SCHEMBL7358268 | 0.84 | CASP3 (0.52) | ABCB1MMP13CTSKCASP3CTSL | |
| SCHEMBL7358274 | 0.84 | CASP3 (0.52) | ABCB1MMP13CTSKCASP3CTSL | |
| SCHEMBL7358261 | 0.84 | CASP3 (0.52) | ABCB1MMP13CTSKCASP3CTSL | |
| SCHEMBL18774726 | 0.84 | MMP13 (0.40) | MMP13CTSKCTSLCTSBCTSS | |
| SCHEMBL7885855 | 0.81 | PPARG (0.40) | ABCB1MMP13PPARGCA12CA1 | |
| SCHEMBL19015816 | 0.79 | CASP3 (0.51) | ABCB1CTSKCASP3CTSLCTSB | |
| SCHEMBL7351268 | 0.78 | CYP2D6 (0.47) | CTSKCASP3CA12CA1CA7 | |
| SCHEMBL7351273 | 0.78 | CYP2D6 (0.47) | CTSKCASP3CA12CA1CA7 | |
| SCHEMBL7351260 | 0.78 | CYP2D6 (0.47) | CTSKCASP3CA12CA1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2288615-B1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | GENESIS TECH LTD (BB) | 2017-06-21 | — | — | EP | disclosed |