Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP6 | P51161 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 6/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
| ▸ | CLK1 | P49759 | 1/20 | 0.30 |
| ▸ | CLK2 | P49760 | 1/20 | 0.30 |
| ▸ | CLK3 | P49761 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
| ▸ | MELK | Q14680 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6203539 | 0.78 | PARP10 (0.41) | FABP6PARP10PARP1GRM5PARP11 | |
| SCHEMBL6200635 | 0.73 | GRM5 (0.44) | FABP6PARP10PARP1GRM5 | |
| SCHEMBL6200236 | 0.69 | PARP10 (0.45) | FABP6PARP10PARP1GRM5PARP11 | |
| SCHEMBL31297470 | 0.69 | PARP10 (0.45) | FABP6PARP10PARP1GRM5PARP11 | |
| SCHEMBL16150511 | 0.68 | PARP1 (0.43) | PARP1 | |
| SCHEMBL6200228 | 0.65 | PARP10 (0.41) | FABP6PARP10PARP1GRM5PARP11 | |
| SCHEMBL32669434 | 0.64 | PARP1 (0.50) | FABP6PARP10PARP1GRM5PARP11 | |
| SCHEMBL30054287 | 0.62 | MEN1 (0.44) | PARP10PARP1GRM5 | |
| SCHEMBL6198918 | 0.61 | GRM5 (0.52) | PARP10PARP1GRM5 | |
| SCHEMBL25240219 | 0.61 | — | — |
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 |