Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 13/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL19741293 | 1.00 | CHRM4 (0.98) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL30193554 | 0.99 | CHRM4 (1.00) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL19741209 | 0.99 | CHRM4 (1.00) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19741255 | 0.86 | CHRM4 (0.74) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL25711585 | 0.86 | CHRM4 (0.74) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL19741358 | 0.85 | CHRM4 (0.76) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30187925 | 0.84 | CHRM4 (1.00) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19740788 | 0.84 | CHRM4 (1.00) | CHRM4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19741298 | 0.82 | CHRM4 (0.98) | CHRM4CYP3A4CYP2C9 | |
| SCHEMBL30187830 | 0.82 | CHRM4 (0.98) | CHRM4CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116178391-A | Forward allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-109310668-B | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2023-01-24 | — | — | CN | disclosed |