Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 9/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL741373 | 1.00 | PARP1 (0.61) | PARP1ADORA2AHTR2APARP2HTR2C | |
| SCHEMBL30689173 | 0.87 | PARP1 (0.56) | PARP1ADORA2APARP2HTR2C | |
| SCHEMBL27041996 | 0.87 | PARP1 (0.56) | PARP1ADORA2APARP2HTR2C | |
| SCHEMBL5201219 | 0.84 | PARP1 (0.55) | PARP1ADORA2APARP2 | |
| SCHEMBL742068 | 0.83 | PARP1 (0.65) | PARP1PARP2 | |
| SCHEMBL742067 | 0.83 | PARP1 (0.65) | PARP1PARP2 | |
| SCHEMBL6864453 | 0.82 | PARP1 (0.71) | PARP1PARP2 | |
| SCHEMBL14587803 | 0.81 | PARP1 (0.65) | PARP1HTR2APARP2HTR2C | |
| Hydrochloric Acid SCHEMBL4716384 | 0.80 | PARP1 (0.63) | PARP1HTR2APARP2HTR2C | |
| SCHEMBL762835 | 0.78 | PARP1 (0.64) | PARP1HTR2APARP2HTR2C |
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 |