Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.64 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6872852 | 0.85 | PARP1 (0.72) | PARP1PARP2 | |
| SCHEMBL30096832 | 0.83 | PARP1 (0.49) | PARP1POLBDRD2HTR2AHTR2C | |
| SCHEMBL5201219 | 0.82 | PARP1 (0.55) | PARP1PARP2HCRTR1HCRTR2POLB | |
| SCHEMBL741850 | 0.80 | PARP1 (0.51) | PARP1HCRTR1HCRTR2POLB | |
| SCHEMBL741851 | 0.80 | PARP1 (0.51) | PARP1HCRTR1HCRTR2POLB | |
| SCHEMBL5621503 | 0.78 | PARP1 (1.00) | PARP1PARP2 | |
| SCHEMBL741373 | 0.78 | PARP1 (0.61) | PARP1PARP2HTR2AHTR2C | |
| SCHEMBL741372 | 0.78 | PARP1 (0.61) | PARP1PARP2HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL18614328 | 0.77 | PARP1 (0.98) | PARP1PARP2 | |
| SCHEMBL16349536 | 0.77 | PARP1 (0.59) | PARP1POLBDRD2HTR2AHTR2C |
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-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |