Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | CDC42 | P60953 | 3/20 | 0.48 |
| ▸ | RAC1 | P63000 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11352958 | 0.87 | CDC42 (0.48) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11533036 | 0.87 | PTGS2 (0.48) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL7905025 | 0.86 | PTGS2 (0.64) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11350964 | 0.85 | CDC42 (0.47) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11346567 | 0.84 | CDC42 (0.45) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11442232 | 0.84 | CDC42 (0.45) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11444501 | 0.83 | CDC42 (0.44) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11442353 | 0.81 | PTGS2 (0.43) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11340229 | 0.81 | CDC42 (0.43) | NPC1RAB9ACDC42RAC1PTGS2 | |
| SCHEMBL11348856 | 0.81 | CDC42 (0.44) | NPC1RAB9ACDC42RAC1PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000649-B1 | 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS | SYNTEX (U.S.A.) INC. (US) | 1981-03-25 | — | — | EP | disclosed |
| US-4140698-A | 1,2-Dihydro-3H-pyrrolo[1,2-a]pyrrole-1-nitriles | SYNTEX (USA) INC. (US) | 1979-02-20 | — | — | US | disclosed |
| EP-0000649-A1 | 5-substituted-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1-carbonitriles and process for their conversion to the corresponding 1-carboxylic acids | SYNTEX (U.S.A.) INC. (US) | 1979-02-07 | — | — | EP | disclosed |