Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16416386 | 0.87 | PARP1 (1.00) | PARP1 | |
| SCHEMBL16416586 | 0.86 | PARP1 (1.00) | PARP1ALDH1A1 | |
| SCHEMBL13835404 | 0.70 | PARP1 (0.54) | PARP1KDM4EALDH1A1HTR3AHRH4 | |
| SCHEMBL29767985 | 0.69 | IRAK4 (0.57) | PARP1 | |
| SCHEMBL16416477 | 0.69 | PARP1 (0.58) | PARP1 | |
| SCHEMBL15652284 | 0.69 | HTR3A (0.58) | PARP1KDM4EALDH1A1HTR3AHRH4 | |
| SCHEMBL16621461 | 0.69 | HTR3A (0.60) | PARP1KDM4EALDH1A1HTR3AHRH4 | |
| SCHEMBL21274069 | 0.69 | PARP1 (0.52) | PARP1KDM4EALDH1A1HTR3AHRH4 | |
| SCHEMBL25138077 | 0.68 | HTR3A (0.70) | PARP1KDM4EALDH1A1HTR3AHRH4 | |
| SCHEMBL8802140 | 0.67 | HTR3A (0.53) | PARP1KDM4EALDH1A1HTR3AHRH4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015011008-A1 | 7-AZAINDOLE DERIVATIVES AS PARP INHIBITORS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2015-01-29 | — | — | WO | claimed |
| WO-2015011008-A1 | 7-AZAINDOLE DERIVATIVES AS PARP INHIBITORS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2015-01-29 | — | — | WO | disclosed |