Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.40 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.40 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 3/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 3/20 | 0.39 |
| ▸ | MERTK | Q12866 | 3/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20594787 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDATMGAA | |
| SCHEMBL23467064 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDATMTSHR | |
| SCHEMBL23559846 | 0.76 | AXL (0.43) | ALDH1A1KDM4EHPGDATMGAA | |
| SCHEMBL23559710 | 0.76 | KDM4E (0.40) | ALDH1A1KDM4EHPGDATMHSD17B10 | |
| SCHEMBL19644534 | 0.75 | CNR2 (0.46) | ALDH1A1KDM4EHPGDATMHSD17B10 | |
| SCHEMBL29704358 | 0.75 | CNR2 (0.46) | ALDH1A1KDM4EHPGDATMHSD17B10 | |
| SCHEMBL23535683 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDATMGAA | |
| SCHEMBL31632983 | 0.75 | AXL (0.42) | ALDH1A1KDM4EHPGDATMGAA | |
| SCHEMBL31504573 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDATMGAA | |
| SCHEMBL23535749 | 0.73 | KDM4E (0.40) | ALDH1A1KDM4EHPGDATMGAA |
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-2018234354-A1 | NOVEL SUBSTITUTED 3-INDOLE AND 3-INDAZOLE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2018-12-27 | — | — | WO | disclosed |