Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.74 |
| ▸ | PARP2 | Q9UGN5 | 7/20 | 0.74 |
| ▸ | PARP3 | Q9Y6F1 | 6/20 | 0.74 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.74 |
| ▸ | TNKS | O95271 | 1/20 | 0.74 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.74 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.74 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.74 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.74 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.74 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.74 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.74 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.74 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.74 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.74 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL1421914 | 0.89 | PARP1 (0.75) | PARP1PARP2PARP3DYRK1ATNKS | |
| SCHEMBL1421945 | 0.89 | PARP1 (0.75) | PARP1PARP2PARP3DYRK1ATNKS | |
| SCHEMBL1421987 | 0.89 | PARP1 (0.75) | PARP1PARP2PARP3DYRK1ATNKS | |
| Niraparib SCHEMBL1421875 | 0.85 | PARP1 (1.00) | PARP1PARP2PARP3DYRK1ATNKS | |
| Niraparib SCHEMBL1421952 | 0.85 | PARP1 (1.00) | PARP1PARP2PARP3DYRK1ATNKS | |
| Niraparib SCHEMBL1422151 | 0.85 | PARP1 (1.00) | PARP1PARP2PARP3DYRK1ATNKS | |
| Trifluoroacetic Acid SCHEMBL1422148 | 0.84 | PARP1 (0.68) | PARP1PARP2PARP3DYRK1ATNKS | |
| Niraparib SCHEMBL567840 | 0.84 | PARP1 (0.98) | PARP1PARP2PARP3DYRK1ATNKS | |
| Niraparib SCHEMBL28370623 | 0.84 | PARP1 (0.98) | PARP1PARP2PARP3DYRK1ATNKS | |
| Niraparib SCHEMBL567839 | 0.84 | PARP1 (0.98) | PARP1PARP2PARP3DYRK1ATNKS |
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-3536690-A1 | AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | MSD Italia S.r.l. (IT) | 2019-09-11 | — | — | EP | disclosed |
| EP-2805945-B1 | Amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors | MSD ITALIA SRL (IT) | 2019-04-03 | — | — | EP | disclosed |