Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.49 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | STS | P08842 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4823687 | 0.75 | CES2 (0.77) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL31414638 | 0.75 | CES2 (0.77) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL16460859 | 0.75 | KCNQ3 (0.64) | CES2CES1KCNQ3KCNQ2PARP1 | |
| SCHEMBL3840296 | 0.75 | CDK5 (0.52) | CES2CES1KCNQ3KCNQ2PARP1 | |
| Hydrochloric Acid SCHEMBL27733557 | 0.74 | CES2 (0.74) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL11381382 | 0.73 | NPC1 (0.64) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL9278411 | 0.72 | HPGD (0.69) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL18286295 | 0.71 | VNN1 (0.61) | CES2CES1KCNQ3KCNQ2PARP1 | |
| Water SCHEMBL8063558 | 0.71 | MEN1 (0.66) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL4820908 | 0.71 | CES2 (0.69) | CES2CES1PARP1STSNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001017965-A2 | CYANOPIPERIDINES AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-03-15 | — | — | WO | disclosed |