Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 10/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 10/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2264183 | 0.88 | PARP1 (0.38) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL4764698 | 0.87 | PARP1 (0.36) | PARP1PARP2 | |
| SCHEMBL4764394 | 0.80 | PARP1 (0.37) | PARP1PARP2 | |
| SCHEMBL2268484 | 0.80 | PARP1 (0.40) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL4766393 | 0.79 | PARP1 (0.37) | PARP1PARP2 | |
| SCHEMBL2266054 | 0.78 | PARP1 (0.38) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL2267536 | 0.78 | PARP1 (0.39) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL2265494 | 0.77 | PARP1 (0.36) | PARP1PARP2 | |
| Trifluoroacetic Acid SCHEMBL28779522 | 0.77 | PARP1 (0.43) | PARP1PARP2PARP3 | |
| SCHEMBL2266972 | 0.76 | PARP1 (0.37) | PARP1PARP2PARP3TNKSCHRM2 |
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 |