Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.41 |
| ▸ | PARP11 | Q9NR21 | 4/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5071984 | 0.78 | PARP1 (0.58) | PARP1PARP10PARP11PDPK1PIM1 | |
| SCHEMBL6200526 | 0.78 | GRM5 (0.50) | PARP1PARP10PARP11PDPK1MAPT | |
| SCHEMBL6199173 | 0.74 | GRM5 (0.47) | PARP1PARP10PARP11MAPTGRM5 | |
| SCHEMBL6198918 | 0.74 | GRM5 (0.52) | PARP1PARP10GRM5 | |
| SCHEMBL6203539 | 0.73 | PARP10 (0.41) | PARP1PARP10PARP11GRM5PIM1 | |
| SCHEMBL6195383 | 0.73 | GRM5 (0.41) | PARP1PARP10PARP11PDPK1GRM5 | |
| SCHEMBL6198768 | 0.73 | PARP1 (0.46) | PARP1PARP10PARP11PDPK1MAPT | |
| SCHEMBL12750356 | 0.73 | PARP1 (0.61) | PARP1PARP10PARP11PDPK1MAPT | |
| SCHEMBL1346861 | 0.73 | PARP1 (0.44) | PARP1PARP10PARP11PDPK1MAPT | |
| SCHEMBL6202358 | 0.72 | GRM5 (0.40) | PARP1PARP10PARP11PDPK1GRM5 |
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-1208104-B1 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMA (US) | 2005-01-19 | — | — | EP | disclosed |
| US-6548494-B1 | 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases | AGOURON PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |
| EP-1208104-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001016136-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-03-08 | — | — | WO | disclosed |