Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CD74 | P04233 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 5/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17201244 | 0.81 | CD74 (0.41) | CD74MIFBRD4NLRP3EP300 | |
| SCHEMBL20636686 | 0.80 | BRD4 (0.41) | CD74MIFBRD4NLRP3 | |
| SCHEMBL17201310 | 0.79 | BRD4 (0.38) | CD74MIFBRD4NLRP3 | |
| SCHEMBL17706016 | 0.78 | ALDH1A1 (0.67) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL17201028 | 0.77 | BRD4 (0.39) | CD74MIFBRD4NLRP3 | |
| SCHEMBL23698915 | 0.77 | BRD4 (0.39) | CD74MIFBRD4NLRP3 | |
| SCHEMBL31228042 | 0.75 | ALDH1A1 (0.51) | KDM4EALDH1A1GAAMAPTCD74 | |
| SCHEMBL15831652 | 0.73 | ALDH1A1 (0.56) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL31227001 | 0.73 | GSK3B (0.49) | CD74MIF | |
| SCHEMBL17201233 | 0.73 | BRD4 (0.35) | CD74MIFBRD4NLRP3EP300 |
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-3134386-A1 | ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE | Takeda Pharmaceutical Company Limited (JP) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015163485-A1 | ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-29 | — | — | WO | disclosed |