Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 5/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5072030 | 0.78 | PARP1 (0.62) | PARP1PARP2 | |
| Phosphoric Acid SCHEMBL7867331 | 0.77 | PARP1 (0.36) | PARP1KMT2ACDK9CCNT1CASP3 | |
| SCHEMBL6027967 | 0.76 | SMN1; SMN2 (0.38) | PARP1CDK9CCNT1CASP3CASP7 | |
| Oxalic Acid SCHEMBL7867428 | 0.76 | CCNT1 (0.42) | PARP1PARP2KMT2ACDK9CCNT1 | |
| SCHEMBL5076303 | 0.76 | PARP1 (0.55) | PARP1PARP2 | |
| SCHEMBL5072041 | 0.73 | PARP1 (0.59) | PARP1PARP2HRH4 | |
| SCHEMBL5072005 | 0.72 | PARP1 (0.50) | PARP1 | |
| SCHEMBL19643885 | 0.71 | KDM5A (0.47) | PARP1KMT2AHRH4 | |
| Phosphoric Acid SCHEMBL8819007 | 0.71 | OPRM1 (0.43) | HDAC11KCNH2HDAC1 | |
| SCHEMBL5074042 | 0.70 | PARP1 (0.61) | PARP1PARP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1280774-A1 | SUBSTITUTED INDOLES AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-05 | — | — | EP | claimed |
| WO-2001085687-A1 | SUBSTITUTED INDOLES AS PARP INHIBITORS | BASF AG (DE) | 2001-11-15 | — | — | WO | claimed |
| EP-1280774-A1 | SUBSTITUTED INDOLES AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001085687-A1 | SUBSTITUTED INDOLES AS PARP INHIBITORS | BASF AG (DE) | 2001-11-15 | — | — | WO | disclosed |