Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.83 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.83 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.83 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.83 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.83 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.83 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.83 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.83 |
| ▸ | PKM | P14618 | 1/20 | 0.83 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.83 |
| ▸ | THPO | P40225 | 1/20 | 0.83 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.83 |
| ▸ | ESR1 | P03372 | 1/20 | 0.83 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.83 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.83 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.83 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.83 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.83 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL7913176 | 1.00 | KCNH2 (0.83) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| SCHEMBL7915717 | 1.00 | KCNH2 (0.83) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| Hydrochloric Acid SCHEMBL8648465 | 0.99 | MEN1 (0.84) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| SCHEMBL5690324 | 0.92 | KCNH2 (0.82) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| SCHEMBL7529916 | 0.92 | KCNH2 (0.82) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| SCHEMBL6049986 | 0.92 | KCNH2 (0.82) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| Esoxybutynin SCHEMBL290373 | 0.91 | CHRM2 (1.00) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| Aroxybutynin SCHEMBL25880 | 0.91 | CHRM2 (1.00) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| Oxybutynin SCHEMBL2992 | 0.91 | CHRM2 (1.00) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 | |
| Oxybutynin SCHEMBL1560964 | 0.91 | CHRM2 (1.00) | KCNH2CHRM2CHRM1CYP2C19SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6207852-B1 | THERAPY FOR INCONTINENCE; CROHN'S DISEASE; MUSCLE RELAXANTS | BRIDGE PHARMA, INC. | 2001-03-27 | — | — | US | disclosed |