Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 19/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 9/20 | 0.47 |
| ▸ | PARP3 | Q9Y6F1 | 9/20 | 0.47 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL4770118 | 0.79 | PARP1 (0.45) | PARP1PARP2PARP3TIPARP | |
| SCHEMBL28302968 | 0.78 | PARP1 (0.62) | PARP1PARP2PARP3 | |
| Ammonia Solution, Strong SCHEMBL28920665 | 0.76 | PARP1 (0.44) | PARP1TIPARP | |
| SCHEMBL28217956 | 0.76 | PARP1 (0.65) | PARP1PARP2PARP3 | |
| SCHEMBL25336534 | 0.74 | PARP1 (0.67) | PARP1PARP2PARP3TIPARP | |
| SCHEMBL2266855 | 0.74 | PARP1 (0.75) | PARP1PARP2PARP3HDAC3HDAC4 | |
| SCHEMBL4768145 | 0.74 | PARP1 (0.46) | PARP1PARP2PARP3TIPARP | |
| SCHEMBL25335934 | 0.74 | PARP1 (0.56) | PARP1PARP2PARP3 | |
| SCHEMBL12368100 | 0.73 | PARP1 (0.68) | PARP1PARP2PARP3 | |
| SCHEMBL4769817 | 0.70 | PARP1 (0.44) | PARP1PARP2PARP3TIPARP |
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 |
|---|---|---|---|---|---|---|---|
| CN-101415686-B | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO | 2013-03-13 | — | — | CN | disclosed |
| CN-101415686-A | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO (IT) | 2009-04-22 | — | — | CN | disclosed |