Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 6/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | PDE8B | O95263 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25895759 | 0.77 | HTR5A (0.41) | DRD2PTGS2DRD1 | |
| SCHEMBL31061252 | 0.77 | HTR5A (0.41) | DRD2PTGS2DRD1 | |
| SCHEMBL9404873 | 0.75 | KDM4E (0.40) | KDM4ELMNAACHEALDH1A1HPGD | |
| SCHEMBL9404804 | 0.72 | NPC1 (0.43) | KDM4ELMNAACHEALDH1A1HPGD | |
| SCHEMBL30203107 | 0.68 | MAOB (0.35) | KDM4EALDH1A1MAPTCYP3A4 | |
| SCHEMBL3158365 | 0.66 | KDM4E (0.56) | KDM4ELMNAACHEALDH1A1HPGD | |
| SCHEMBL1828066 | 0.66 | MAPT (0.45) | KDM4ELMNAALDH1A1MAPTKMT2A | |
| SCHEMBL28227231 | 0.65 | DRD2 (0.36) | KDM4EHPGDDRD2DRD1 | |
| SCHEMBL3674074 | 0.65 | CA9 (0.50) | KDM4EACHEALDH1A1HPGDMAPT | |
| SCHEMBL30701949 | 0.65 | CA9 (0.50) | KDM4EACHEALDH1A1HPGDMAPT |
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-2315614-A1 | CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS | Henkel AG & Co. KGaA (DE) | 2011-05-04 | — | — | EP | disclosed |
| WO-2010022995-A1 | CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS | HENKEL AG & CO. KGAA (DE) | 2010-03-04 | — | — | WO | disclosed |