Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.68 |
| ▸ | NOS1 | P29475 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NOS3 | P29474 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL317855 | 0.82 | BLM (1.00) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL2670016 | 0.82 | CA1 (0.42) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Sulfuric Acid SCHEMBL22347074 | 0.82 | BLM (1.00) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Sulfuric Acid SCHEMBL18206 | 0.82 | BLM (1.00) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL27709002 | 0.79 | CA1 (0.40) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Sulfuric Acid SCHEMBL29483831 | 0.79 | BLM (0.94) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL7320428 | 0.79 | ALDH1A1 (0.41) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL5092177 | 0.79 | ALDH1A1 (0.45) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL18641287 | 0.77 | F2 (0.39) | KDM4ECYP2D6CYP2C19BLMNPSR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL5177368 | 0.76 | F2 (0.38) | KDM4ECYP2D6CYP2C19BLMNPSR1 |
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-117229281-A | Di-parallel ring derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-15 | — | — | CN | disclosed |