Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 2/20 | 0.37 |
| ▸ | PRKCB | P05771 | 2/20 | 0.37 |
| ▸ | PRKCA | P17252 | 2/20 | 0.37 |
| ▸ | PRKACA | P17612 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25797911 | 0.90 | CHRM2 (0.51) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27053572 | 0.90 | CHRM2 (0.51) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27052161 | 0.87 | CHRNA7 (0.50) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27052534 | 0.84 | OPRM1 (0.51) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27052174 | 0.82 | OPRM1 (0.50) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27052532 | 0.82 | OPRM1 (0.53) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27105531 | 0.81 | OPRM1 (0.51) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27052171 | 0.79 | OPRM1 (0.53) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL27052176 | 0.77 | CHRM2 (0.45) | CHRM2CHRM4CHRM1CHRM3CHRNA7 | |
| SCHEMBL24278628 | 0.76 | SCN1A (0.50) | CHRM2CHRM4CHRM1CHRM3MEN1 |
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-2022045231-A1 | ESTER COMPOUND | 三井化学株式会社 | 2022-03-03 | — | — | WO | disclosed |