Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22785812 | 0.82 | PTGS2 (0.41) | L3MBTL1MAPK1TSHRTDP1PTGS2 | |
| SCHEMBL22785816 | 0.82 | L3MBTL1 (0.39) | L3MBTL1MAPK1TSHRTDP1PTGS2 | |
| SCHEMBL24015320 | 0.82 | PTGS2 (0.41) | L3MBTL1MAPK1TSHRTDP1PTGS2 | |
| SCHEMBL22785810 | 0.78 | SLC7A5 (0.44) | — | |
| SCHEMBL29256503 | 0.78 | MAPT (0.50) | TDP1ALDH1A1 | |
| SCHEMBL29256502 | 0.78 | MAPT (0.50) | TDP1ALDH1A1 | |
| SCHEMBL24015317 | 0.78 | KYNU (0.39) | L3MBTL1MAPK1TSHRTDP1PTGS2 | |
| SCHEMBL22785815 | 0.76 | MAPK1 (0.44) | L3MBTL1MAPK1TSHRTDP1PTGS2 | |
| SCHEMBL3931227 | 0.74 | LMNA (0.57) | TSHRPTGS2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL3931230 | 0.74 | LMNA (0.57) | TSHRPTGS2CYP3A4CYP2D6SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3906969-A1 | ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF | East China University of Science and Technology (CN) | 2021-11-10 | — | — | EP | disclosed |
| WO-2020249117-A1 | ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF | 华东理工大学 | 2020-12-17 | — | — | WO | disclosed |