Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL21501287 | 0.81 | CTSK (0.46) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL4641603 | 0.81 | CTSK (0.46) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL4641612 | 0.81 | CTSK (0.46) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL4641615 | 0.81 | CTSK (0.46) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL22242703 | 0.80 | BTK (0.46) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL6702128 | 0.80 | BTK (0.46) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL14820382 | 0.79 | CTSK (0.45) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL12127258 | 0.77 | BTK (0.51) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL14908035 | 0.76 | CTSK (0.43) | CTSKCA1CA2BTKHSD11B1 | |
| SCHEMBL14908041 | 0.76 | CTSK (0.43) | CTSKCA1CA2BTKHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129417-B2 | Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers | ABBOTT LABORATORIES (US) | 2012-03-06 | — | — | US | disclosed |