Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4777456 | 0.83 | POLB (0.41) | POLBCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL4725269 | 0.82 | ALDH1A1 (0.40) | POLBCHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL4778023 | 0.75 | CHRM3 (0.39) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| SCHEMBL13329544 | 0.72 | HTR2C (0.38) | HTR2CSLC6A4POLBCHRM2CHRM1 | |
| SCHEMBL12855721 | 0.69 | CHRM2 (0.37) | HTR2CSLC6A4POLBCHRM2CHRM1 | |
| SCHEMBL13329539 | 0.69 | CHRM2 (0.37) | HTR2CSLC6A4POLBCHRM2CHRM1 | |
| SCHEMBL4778382 | 0.69 | KCNH2 (0.38) | HTR2CSLC6A4CHRM2CHRM1CHRM4 | |
| Bromide SCHEMBL4725253 | 0.68 | KCNH2 (0.38) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| SCHEMBL4725244 | 0.67 | KCNH2 (0.36) | HTR2CSLC6A4POLBCHRM2CHRM1 | |
| SCHEMBL4727371 | 0.66 | CHRM3 (0.43) | POLBCHRM2CHRM1CHRM4CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008023157-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS | ARGENTA DISCOVERY LIMITED (GB) | 2008-02-28 | — | — | WO | disclosed |
| WO-2008023157-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS | ARGENTA DISCOVERY LIMITED (GB) | 2008-02-28 | — | — | WO | disclosed |