Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 14/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 9/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | IL1B | P01584 | 5/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25632554 | 1.00 | CHRM4 (0.61) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| Hydrochloric Acid SCHEMBL29919565 | 0.99 | CHRM4 (0.60) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| Hydrochloric Acid SCHEMBL29919290 | 0.99 | CHRM4 (0.60) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| Hydrochloric Acid SCHEMBL23932230 | 0.99 | CHRM4 (0.60) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| SCHEMBL29864666 | 0.83 | CHRM4 (0.48) | CHRM4CHRM2CNR2IL1BTNF | |
| SCHEMBL25506898 | 0.82 | CHRM4 (0.60) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| SCHEMBL30382372 | 0.82 | CHRM4 (0.60) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| SCHEMBL25506606 | 0.82 | CHRM4 (0.60) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| Hydrochloric Acid SCHEMBL29919567 | 0.81 | CHRM4 (0.59) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 | |
| Hydrochloric Acid SCHEMBL25197633 | 0.81 | CHRM4 (0.59) | CHRM4CHRM2CYP1A2CYP3A4CYP2B6 |
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-2021216949-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-10-28 | — | — | WO | disclosed |