Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL23398475 | 0.92 | CYP2C9 (0.41) | CYP2C9CYP2C19CYP1A2CACNA1HALDH1A1 | |
| SCHEMBL23399478 | 0.92 | ALDH1A1 (0.41) | CYP2C9CYP2C19CYP1A2CACNA1HALDH1A1 | |
| SCHEMBL23402262 | 0.88 | RPA1 (0.44) | ALDH1A1NPC1RAB9AL3MBTL1GAA | |
| SCHEMBL23398600 | 0.88 | ALDH1A1 (0.45) | CYP2C9CYP2C19CYP1A2CACNA1HALDH1A1 | |
| SCHEMBL23402593 | 0.88 | RPA1 (0.45) | CYP2C9CYP2C19CYP1A2ALDH1A1MAPT | |
| SCHEMBL23403096 | 0.85 | HIF1A (0.42) | CYP2C9CYP2C19CYP1A2CACNA1HALDH1A1 | |
| SCHEMBL23402598 | 0.84 | PTGS2 (0.43) | CYP2C9CYP2C19CYP1A2CYP3A4PTGS2 | |
| SCHEMBL23402858 | 0.83 | ALDH1A1 (0.49) | CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL23401952 | 0.82 | CACNA1H (0.50) | CYP2C9CYP2C19CYP1A2CACNA1HALDH1A1 | |
| SCHEMBL23402477 | 0.82 | KDM4C (0.51) | CYP2C9CYP2C19CYP1A2CACNA1HALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |