Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.80 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.80 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12786154 | 0.93 | PARP1 (0.78) | PARP1PARP2PTGS2NOS3NOS1 | |
| SCHEMBL12786144 | 0.92 | PARP1 (0.82) | PARP1PARP2PTGS2NOS3NOS1 | |
| Cep-9722 SCHEMBL29374944 | 0.89 | PARP1 (1.00) | PARP1PARP2PTGS2PDE5APDE4D | |
| Cep-9722 SCHEMBL3359996 | 0.89 | PARP1 (1.00) | PARP1PARP2PTGS2PDE5APDE4D | |
| SCHEMBL14346230 | 0.85 | PARP1 (0.76) | PARP1PARP2PTGS2HTR2AHTR2C | |
| SCHEMBL12786188 | 0.82 | PARP1 (0.86) | PARP1PARP2PTGS2PDE5APDE4D | |
| SCHEMBL3361926 | 0.79 | PARP1 (0.81) | PARP1PARP2PTGS2PDE5APDE4D | |
| SCHEMBL12786190 | 0.77 | PARP1 (0.74) | PARP1PARP2PTGS2NOS3NOS1 | |
| SCHEMBL14980877 | 0.75 | PARP1 (0.59) | PARP1PARP2PTGS2BRD4MEN1 | |
| SCHEMBL14169516 | 0.73 | PARP1 (0.71) | PARP1PARP2PDE5APDE4DPDE10A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066324-B1 | CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS | CEPHALON INC (US) | 2013-05-29 | — | — | EP | disclosed |