Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | BACE1 | P56817 | 5/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 4/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7319631 | 0.74 | ACHE (0.62) | GAABACE1SIGMAR1ACHECCR3 | |
| SCHEMBL7270268 | 0.74 | SIGMAR1 (0.61) | GAASIGMAR1ACHEKDM4EMAPT | |
| SCHEMBL927158 | 0.72 | SIGMAR1 (0.59) | GAASIGMAR1ACHECCR3KDM4E | |
| SCHEMBL9232557 | 0.72 | SIGMAR1 (0.59) | GAABACE1SIGMAR1ACHECCR3 | |
| SCHEMBL8327 | 0.72 | SIGMAR1 (0.77) | SIGMAR1KDM4EDRD4CYP2D6CYP2C19 | |
| SCHEMBL11585348 | 0.72 | SIGMAR1 (0.77) | SIGMAR1KDM4EDRD4CYP2D6CYP2C19 | |
| SCHEMBL11141692 | 0.72 | SIGMAR1 (0.77) | SIGMAR1KDM4EDRD4CYP2D6CYP2C19 | |
| SCHEMBL26532 | 0.72 | SIGMAR1 (0.77) | SIGMAR1KDM4EDRD4CYP2D6CYP2C19 | |
| SCHEMBL688047 | 0.72 | SIGMAR1 (0.77) | SIGMAR1KDM4EDRD4CYP2D6CYP2C19 | |
| SCHEMBL6990786 | 0.72 | SIGMAR1 (0.53) | GAASIGMAR1KDM4EMAPTMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998433-A | THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| CN-1160403-A | Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-09-24 | — | — | CN | disclosed |
| EP-0785939-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011201-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-18 | — | — | WO | disclosed |