Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24378470 | 0.89 | BCHE (0.47) | TSHRBCHEACHEMAPTCYP2C19 | |
| SCHEMBL24378329 | 0.89 | BCHE (0.47) | TSHRBCHEACHEMAPTCYP2C19 | |
| SCHEMBL29870527 | 0.89 | BCHE (0.47) | TSHRBCHEACHEMAPTCYP2C19 | |
| SCHEMBL23278551 | 0.89 | BCHE (0.47) | TSHRBCHEACHEMAPTCYP2C19 | |
| SCHEMBL18573747 | 0.89 | BCHE (0.47) | TSHRBCHEACHEMAPTCYP2C19 | |
| SCHEMBL24378345 | 0.89 | BCHE (0.47) | TSHRBCHEACHEMAPTCYP2C19 | |
| SCHEMBL11981957 | 0.83 | SMN1; SMN2 (0.43) | TDP1ALDH1A1BCHE | |
| SCHEMBL14229137 | 0.83 | SMN1; SMN2 (0.43) | TDP1ALDH1A1BCHE | |
| SCHEMBL9008118 | 0.80 | SLC6A2 (0.50) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL25909886 | 0.79 | BCHE (0.46) | BCHEACHEMAPTCYP2C19SLC6A2 |
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-3246324-A2 | PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USES THEREOF | Tianjin Institute Of Pharmaceutical Research (CN) | 2017-11-22 | — | — | EP | disclosed |