Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22061020 | 0.88 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CA2LMNAMAPK1 | |
| SCHEMBL24090581 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA2LMNAMAPK1 | |
| SCHEMBL24088542 | 0.81 | CYP3A4 (0.32) | ALDH1A1CYP3A4CA2LMNA | |
| SCHEMBL24088490 | 0.81 | CYP3A4 (0.31) | ALDH1A1CYP3A4CA2 | |
| SCHEMBL27411723 | 0.80 | CYP3A4 (0.32) | ALDH1A1CYP3A4CA2LMNALTA4H | |
| SCHEMBL24090351 | 0.78 | CYP3A4 (0.32) | ALDH1A1CYP3A4CA2LMNALTA4H | |
| SCHEMBL22061008 | 0.76 | CYP3A4 (0.33) | ALDH1A1CYP3A4LMNA | |
| SCHEMBL26802641 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CA2LMNAMAPK1 | |
| SCHEMBL4913490 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CA2LMNAMAPK1 | |
| SCHEMBL27411557 | 0.75 | LMNA (0.46) | ALDH1A1CYP3A4CA2LMNAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210380903-A1 | NON-CAUSTIC CLEANING COMPOSITIONS AND USES THEREOF | ECOLAB USA INC. | 2021-12-09 | — | — | US | disclosed |