Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8512111 | 1.00 | CYP2D6 (0.54) | CYP2D6HTTCHRM3CHRM4CHRM5 | |
| SCHEMBL8512117 | 1.00 | CYP2D6 (0.54) | CYP2D6HTTCHRM3CHRM4CHRM5 | |
| SCHEMBL16789073 | 1.00 | CYP2D6 (0.54) | CYP2D6HTTCHRM3CHRM4CHRM5 | |
| SCHEMBL16789066 | 0.94 | CYP2D6 (0.64) | CYP2D6HTTCTSSCTSKCYP1A2 | |
| SCHEMBL16789062 | 0.93 | CTSS (0.49) | CYP2D6HTTCHRM3CHRM4CHRM5 | |
| SCHEMBL16789065 | 0.91 | CTSK (0.51) | CYP2D6HTTCHRM3CHRM4CHRM5 | |
| SCHEMBL16789068 | 0.85 | CYP2D6 (0.43) | CYP2D6HTTCHRM3CHRM4CHRM5 | |
| SCHEMBL18260361 | 0.84 | CHRM3 (0.50) | CHRM3CTSSCTSK | |
| SCHEMBL18268310 | 0.84 | CHRM3 (0.50) | CHRM3CTSSCTSK | |
| SCHEMBL8512022 | 0.83 | LMNA (0.60) | CYP2D6CHRM3CHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2643295-A1 | GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | Chiesi Farmaceutici S.p.A. (IT) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012069275-A1 | GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-05-31 | — | — | WO | disclosed |