Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL135837 | 0.92 | — | — | |
| Fluoride SCHEMBL25169958 | 0.89 | ACHE (0.46) | ACHENFE2L2CES2CES1CYP1A2 | |
| Cyanide SCHEMBL27758975 | 0.84 | ACHE (0.42) | ACHENFE2L2CES2CES1CYP1A2 | |
| SCHEMBL28964841 | 0.84 | ACHE (0.42) | ACHENFE2L2CES2CES1CYP1A2 | |
| SCHEMBL18251126 | 0.82 | TAAR1 (0.54) | ACHECYP3A4TAAR1ESR2IDO1 | |
| SCHEMBL13329 | 0.82 | — | — | |
| SCHEMBL170090 | 0.82 | — | — | |
| SCHEMBL27882252 | 0.80 | PARP1 (0.42) | ACHENFE2L2CES2CES1CYP1A2 | |
| SCHEMBL28484445 | 0.79 | PARP1 (0.41) | ACHENFE2L2CES2CES1CYP1A2 | |
| SCHEMBL29031992 | 0.78 | ACHE (0.58) | ACHENFE2L2CES2CES1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1122746-B1 | Composition for film formation and insulating film | JSR CORP (JP) | 2004-09-22 | — | — | EP | disclosed |
| EP-1122746-A1 | Composition for film formation and insulating film | JSR Corporation (JP) | 2001-08-08 | — | — | EP | disclosed |