Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17431373 | 0.74 | PTGS2 (0.33) | LRRK2ALOX5PTGS2ALDH1A1MAPT | |
| SCHEMBL28073660 | 0.71 | ITGB3 (0.37) | ALDH1A1 | |
| SCHEMBL18986563 | 0.70 | TAS1R3 (0.34) | PTGS2ALDH1A1MAPTHSD17B10TRPA1 | |
| SCHEMBL28073642 | 0.70 | ALOX15 (0.40) | ALDH1A1MAPTHSD17B10TRPA1ESR1 | |
| SCHEMBL18986734 | 0.70 | TAS1R3 (0.34) | PTGS2ALDH1A1MAPTHSD17B10TRPA1 | |
| SCHEMBL28673910 | 0.68 | NPSR1 (0.36) | PTGS2ALDH1A1 | |
| SCHEMBL16693174 | 0.68 | CYP2A6 (0.42) | LRRK2PTGS2ALDH1A1MAPTTRPA1 | |
| SCHEMBL28073641 | 0.68 | PKM (0.39) | ALDH1A1MAPTHSD17B10 | |
| SCHEMBL31525566 | 0.65 | ACE2 (0.41) | ALOX5PTGS2ALDH1A1MAPT | |
| SCHEMBL31525480 | 0.64 | CA12 (0.44) | ALDH1A1MAPTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104254525-B | aromatic ring compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |