Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL23748727 | 1.00 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23748607 | 0.81 | CYP3A4 (0.38) | CYP3A4MAPK1SMN1; SMN2PTGS1PLA2G2A | |
| SCHEMBL23748610 | 0.81 | CYP3A4 (0.38) | CYP3A4MAPK1SMN1; SMN2PTGS1PLA2G2A | |
| SCHEMBL23748719 | 0.77 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23748716 | 0.77 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL466144 | 0.74 | CYP3A4 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24087411 | 0.73 | CYP3A4 (0.46) | CYP3A4MAPK1SMN1; SMN2KMT2A | |
| SCHEMBL23748627 | 0.71 | PLA2G4B (0.54) | TSHRMAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL23748660 | 0.71 | PLA2G4B (0.54) | TSHRMAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10452299 | 0.71 | PLA2G4B (0.54) | TSHRMAPK1SMN1; SMN2ALDH1A1 |
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-113166024-A | Aromatic compounds and their medical use | 巴斯夫股份公司 | 2021-07-23 | — | — | CN | disclosed |