Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.69 |
| ▸ | PARP2 | Q9UGN5 | 14/20 | 0.69 |
| ▸ | PARP3 | Q9Y6F1 | 14/20 | 0.69 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4769970 | 0.89 | PARP1 (0.72) | PARP1PARP2PARP3HDAC3KDR | |
| SCHEMBL4770010 | 0.86 | PARP1 (0.72) | PARP1PARP2PARP3HDAC3KDR | |
| SCHEMBL2266066 | 0.82 | PARP1 (0.71) | PARP1PARP2PARP3HDAC3KDR | |
| SCHEMBL2268092 | 0.82 | PARP1 (1.00) | PARP1PARP2PARP3 | |
| Hydrochloric Acid SCHEMBL2263690 | 0.81 | PARP1 (0.98) | PARP1PARP2PARP3 | |
| SCHEMBL30157404 | 0.81 | PARP1 (0.76) | PARP1PARP2PARP3HDAC3KDR | |
| SCHEMBL2266544 | 0.81 | PARP1 (1.00) | PARP1PARP2PARP3 | |
| SCHEMBL2265179 | 0.80 | PARP1 (1.00) | PARP1PARP2PARP3 | |
| Hydrochloric Acid SCHEMBL2265748 | 0.80 | PARP1 (0.74) | PARP1PARP2PARP3HDAC3KDR | |
| Hydrochloric Acid SCHEMBL2267601 | 0.79 | PARP1 (0.98) | PARP1PARP2PARP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007733-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007113596-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-10-11 | — | — | WO | disclosed |