Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | CLK2 | P49760 | 1/20 | 0.30 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.30 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.30 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.30 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.30 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.30 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL17594910 | 1.00 | CACNA1B (0.33) | CACNA1BPARP1PARP2PDE3BPDE3A | |
| SCHEMBL14745082 | 0.95 | CACNA1B (0.35) | CACNA1BPARP1PARP2PRKD3MAP4K4 | |
| SCHEMBL14745237 | 0.95 | CACNA1B (0.35) | CACNA1BPARP1PARP2PRKD3MAP4K4 | |
| SCHEMBL17594875 | 0.89 | CACNA1B (0.38) | CACNA1BPARP1PARP2PDE3BPDE3A | |
| Trifluoroacetic Acid SCHEMBL14740932 | 0.88 | DPP4 (0.32) | CACNA1BPARP1PARP2PTPN11 | |
| Trifluoroacetic Acid SCHEMBL14741140 | 0.88 | DPP4 (0.32) | CACNA1BPARP1PARP2PTPN11 | |
| SCHEMBL16568225 | 0.86 | KCNH2 (0.33) | CACNA1BPARP1PARP2PDE3BPDE3A | |
| SCHEMBL16568753 | 0.86 | KCNH2 (0.33) | CACNA1BPARP1PARP2PDE3BPDE3A | |
| SCHEMBL14741105 | 0.86 | CACNA1B (0.31) | CACNA1B | |
| SCHEMBL14745075 | 0.85 | PARP1 (0.31) | PARP1PARP2PDE3BPDE3APRKD3 |
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-2016039936-A2 | MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | claimed |