Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7107029 | 0.85 | CYP2C19 (0.43) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL18244899 | 0.79 | CYP2C19 (0.47) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL22330345 | 0.78 | TSHR (0.42) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL26414504 | 0.76 | ALDH1A1 (0.33) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL21920454 | 0.74 | TSHR (0.58) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL5932522 | 0.73 | ALDH1A1 (0.42) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL20807027 | 0.73 | ALDH1A1 (0.50) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL17308763 | 0.72 | TSHR (0.46) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL18937359 | 0.71 | ALDH1A1 (0.48) | CYP2C19MEN1GLAKMT2ATSHR | |
| SCHEMBL25701264 | 0.71 | ALDH1A1 (0.48) | CYP2C19MEN1GLAKMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3660020-A1 | PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS | Signal Pharmaceuticals, LLC (US) | 2020-06-03 | — | — | EP | disclosed |