Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.65 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL742068 | 1.00 | PARP1 (0.65) | PARP1PARP2PDE10APTGS1PTGS2 | |
| SCHEMBL14587803 | 0.84 | PARP1 (0.65) | PARP1PARP2CDC7PIM1CSNK2B | |
| SCHEMBL741372 | 0.83 | PARP1 (0.61) | PARP1PARP2 | |
| SCHEMBL741373 | 0.83 | PARP1 (0.61) | PARP1PARP2 | |
| SCHEMBL7215446 | 0.83 | PARP1 (0.61) | PARP1PARP2PDE10A | |
| Hydrochloric Acid SCHEMBL4716384 | 0.83 | PARP1 (0.63) | PARP1PARP2CDC7PIM1CSNK2B | |
| SCHEMBL4374769 | 0.82 | ALDH1A1 (0.53) | PARP1PARP2PDE10A | |
| SCHEMBL5621627 | 0.79 | PARP1 (1.00) | PARP1PARP2PIM1 | |
| Hydrochloric Acid SCHEMBL18614365 | 0.78 | PARP1 (0.98) | PARP1PARP2PIM1 | |
| SCHEMBL740103 | 0.77 | PARP1 (0.56) | PARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |