Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | QDPR | P09417 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL7299309 | 0.89 | SIGMAR1 (0.49) | SIGMAR1CYP2D6CYP2C9DRD3ALDH1A1 | |
| SCHEMBL7297853 | 0.84 | SIGMAR1 (0.48) | SIGMAR1ALDH1A1HTR7KMT2AHTR1A | |
| SCHEMBL7333358 | 0.84 | HTR1A (0.48) | SIGMAR1POLBALDH1A1HPGDHSD17B10 | |
| SCHEMBL9372501 | 0.84 | SIGMAR1 (0.52) | SIGMAR1HTR1A | |
| SCHEMBL7335487 | 0.81 | SIGMAR1 (0.47) | SIGMAR1DRD3HSD17B10HTR7KMT2A | |
| Fumaric Acid SCHEMBL9375443 | 0.79 | SIGMAR1 (0.46) | SIGMAR1DRD3HSD17B10HTR7KMT2A | |
| Maleic Acid SCHEMBL9375437 | 0.79 | SIGMAR1 (0.46) | SIGMAR1DRD3HSD17B10HTR7KMT2A | |
| SCHEMBL9735887 | 0.79 | PARP1 (0.45) | SIGMAR1DRD3HTR7HTR1A | |
| SCHEMBL9371817 | 0.78 | HTR1A (0.56) | SIGMAR1HTR1A | |
| SCHEMBL9464104 | 0.68 | RAB9A (0.50) | CYP2D6CYP2C9ALDH1A1HPGDKMT2A |
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 |