Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304233 | 0.89 | SIGMAR1 (0.49) | SIGMAR1CYP2D6CYP2C9KMT2AALDH1A1 | |
| SCHEMBL7333358 | 0.87 | HTR1A (0.48) | SIGMAR1PARP1KDM4EALDH1A1 | |
| SCHEMBL9372501 | 0.87 | SIGMAR1 (0.52) | SIGMAR1PARP1 | |
| SCHEMBL7335487 | 0.84 | SIGMAR1 (0.47) | SIGMAR1PARP1KDM4EKMT2ADRD3 | |
| SCHEMBL7297853 | 0.83 | SIGMAR1 (0.48) | SIGMAR1KDM4EMEN1MAPTKMT2A | |
| Maleic Acid SCHEMBL9375437 | 0.82 | SIGMAR1 (0.46) | SIGMAR1PARP1KDM4EMEN1MAPT | |
| Fumaric Acid SCHEMBL9375443 | 0.82 | SIGMAR1 (0.46) | SIGMAR1PARP1KDM4EMEN1MAPT | |
| SCHEMBL9735887 | 0.82 | PARP1 (0.45) | SIGMAR1PARP1PPARGPPARADRD3 | |
| SCHEMBL9371817 | 0.81 | HTR1A (0.56) | SIGMAR1 | |
| SCHEMBL9371787 | 0.77 | SMN1; SMN2 (0.56) | SMN1; SMN2KDM4EMEN1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5149817-A | Psychotropic agents | SHIONOGI & CO., LTD. (JP) | 1992-09-22 | — | — | US | disclosed |
| EP-0445701-A1 | Novel tetrahydropyridine derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1991-09-11 | — | — | EP | disclosed |