Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL5621624 | 0.84 | PARP1 (0.79) | PARP1 | |
| Hydrochloric Acid SCHEMBL7706386 | 0.83 | PARP1 (0.78) | PARP1 | |
| SCHEMBL6872986 | 0.81 | PARP1 (0.60) | PARP1DRD2DRD3KDM4EKMT2A | |
| SCHEMBL7469714 | 0.72 | PARP1 (0.53) | PARP1PTGS1PTGS2 | |
| SCHEMBL4374769 | 0.72 | ALDH1A1 (0.53) | PARP1 | |
| Hydrochloric Acid SCHEMBL18614351 | 0.71 | PARP1 (0.57) | PARP1DRD2DRD3KDM4EKMT2A | |
| SCHEMBL5620560 | 0.71 | PARP1 (0.72) | PARP1 | |
| SCHEMBL631280 | 0.71 | PARP1 (1.00) | PARP1 | |
| SCHEMBL738976 | 0.70 | POLB (0.63) | PARP1DRD2DRD3KDM4E | |
| SCHEMBL662101 | 0.70 | PARP1 (0.64) | PARP1DRD2DRD3HTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001082877-A2 | USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-08 | — | — | WO | disclosed |
| EP-1133477-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000032579-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-08 | — | — | WO | disclosed |