Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5615625 | 0.92 | ACHE (0.40) | ACHELPAR1LPAR3 | |
| SCHEMBL5615622 | 0.82 | ALDH1A1 (0.43) | ACHEMMP2CA12CA1CA2 | |
| SCHEMBL5615946 | 0.80 | ALDH1A1 (0.33) | ACHECA12CA1CA2CA9 | |
| SCHEMBL5615915 | 0.79 | EPHX1 (0.45) | ACHELPAR1LPAR3 | |
| SCHEMBL5615817 | 0.79 | LPAR3 (0.43) | ACHELPAR1LPAR3 | |
| SCHEMBL13433212 | 0.79 | CYP3A4 (0.40) | ACHEMMP2CA12CA1CA2 | |
| SCHEMBL5615899 | 0.79 | CYP3A4 (0.34) | ACHECA12CA1CA2CA9 | |
| SCHEMBL5615652 | 0.78 | LPAR3 (0.46) | ACHELPAR1LPAR3 | |
| SCHEMBL9684530 | 0.74 | MEN1 (0.47) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL5615659 | 0.74 | MEN1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007146085-A2 | CREATINE PHOSPHATE PRODRUGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2007-12-21 | — | — | WO | disclosed |