Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 9/20 | 0.39 |
| ▸ | CES1 | P23141 | 8/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9115488 | 0.71 | CES2 (0.50) | MCL1CES2CES1RAB9AMAPT | |
| SCHEMBL12813465 | 0.67 | RARB (0.43) | MCL1RXRARXRBRXRG | |
| SCHEMBL9117107 | 0.66 | CES2 (0.39) | MCL1CES2CES1RAB9AMAPT | |
| SCHEMBL9117113 | 0.66 | CES2 (0.39) | MCL1CES2CES1RAB9AMAPT | |
| SCHEMBL14421361 | 0.65 | LMNA (0.46) | CES2CES1LMNANPSR1 | |
| Benzil SCHEMBL11180287 | 0.64 | CES2 (0.82) | CES2CES1RAB9AMAPT | |
| SCHEMBL402908 | 0.64 | CETP (0.46) | CES2CES1LMNA | |
| Bicarbonate SCHEMBL28494150 | 0.64 | KDM1A (0.51) | MCL1RXRARXRBRXRG | |
| Benzil SCHEMBL27655380 | 0.62 | CES2 (0.88) | CES2CES1RAB9ALMNAMAPT | |
| Benzil SCHEMBL4832229 | 0.62 | CES2 (0.88) | CES2CES1RAB9ALMNAMAPT |
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-1994005617-A1 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES | NEW YORK UNIVERSITY (US) | 1994-03-17 | — | — | WO | disclosed |