Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | CCKAR | P32238 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21848512 | 0.83 | PPARA (0.45) | PPARAIDO1PPARGKLK7KLK5 | |
| SCHEMBL21848454 | 0.81 | ABCB1 (0.47) | KLK5CTSSEPHX2SCN9ACCKAR | |
| SCHEMBL24199706 | 0.76 | TLR2 (0.42) | PPARAIDO1PPARGKLK7KLK5 | |
| SCHEMBL13640165 | 0.74 | MDM4 (0.49) | — | |
| SCHEMBL23653517 | 0.72 | LMNA (0.42) | IDO1SCN9ACCKARCCKBRRAB9A | |
| SCHEMBL24407428 | 0.72 | MDM4 (0.44) | — | |
| SCHEMBL24633853 | 0.72 | CACNA1B (0.42) | KLK7KLK5SCN9ACCKBR | |
| SCHEMBL25717754 | 0.71 | ALDH1A1 (0.45) | CTSSAAK1MAPK1RAB9A | |
| SCHEMBL24224261 | 0.71 | ELANE (0.53) | — | |
| SCHEMBL21848557 | 0.71 | TACR1 (0.47) | CTSS |
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-2020063399-A1 | METHOD FOR LIGHT-INDUCED DECARBOXYLATION COUPLING OF ACTIVE CARBOXYLIC ACID ESTER UNDER NON-METAL CATALYSIS | 中国科学技术大学 | 2020-04-02 | — | — | WO | disclosed |