Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7430276 | 0.81 | ACHE (0.36) | ACHEHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL7569727 | 0.79 | ACHE (0.44) | ACHEHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL7426330 | 0.76 | KDM4E (0.37) | HTR2AHTR2CHTR2BHTR1AHTR7 | |
| SCHEMBL7426337 | 0.76 | KDM4E (0.37) | HTR2AHTR2CHTR2BHTR1AHTR7 | |
| SCHEMBL7429857 | 0.76 | CHEK1 (0.37) | ACHEHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL7393975 | 0.72 | PDE4A (0.36) | KDM4EALDH1A1PDE4DPDE4APDE4B | |
| SCHEMBL11510279 | 0.70 | KMT2A (0.43) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL7445640 | 0.68 | HTR2A (0.38) | HTR2AHTR2CHTR2BHTR1AHTR7 | |
| SCHEMBL7445629 | 0.68 | HTR2A (0.38) | HTR2AHTR2CHTR2BHTR1AHTR7 | |
| SCHEMBL3370335 | 0.68 | ALDH1A1 (0.56) | ACHEKDM4EALDH1A1KMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001064647-A1 | ISOQUINOLINE DERIVATIVES AS PDE4 INHIBITORS | SANOFI-SYNTHELABO (FR) | 2001-09-07 | — | — | WO | disclosed |