Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.41 |
| ▸ | CA2 | P00918 | 9/20 | 0.41 |
| ▸ | CA9 | Q16790 | 8/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2858734 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| Hexyl Formate SCHEMBL59493 | 0.89 | — | — | |
| SCHEMBL154931 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| Heptyl Formate SCHEMBL93149 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL77313 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL93202 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL2857805 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL55804 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL156980 | 0.89 | TSHR (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL296117 | 0.89 | ALDH1A1 (0.31) | TSHR |
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-108601958-A | Pro-perfume compositions | 爱客多有限公司 | 2018-09-28 | — | — | CN | disclosed |