Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 5/20 | 0.48 |
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7304603 | 0.84 | SIGMAR1 (0.45) | DRD2PARP1SIGMAR1HTR1AMAPT | |
| SCHEMBL7294958 | 0.81 | QDPR (0.55) | QDPRDRD2DRD3DRD4PARP1 | |
| SCHEMBL7303423 | 0.78 | QDPR (0.51) | QDPRDRD2DRD3DRD4PARP1 | |
| SCHEMBL7308762 | 0.75 | QDPR (0.48) | QDPRDRD2DRD3DRD4PARP1 | |
| SCHEMBL18937658 | 0.74 | SIGMAR1 (0.60) | QDPRDRD2DRD3DRD4PARP1 | |
| SCHEMBL18937665 | 0.74 | QDPR (0.50) | QDPRDRD2DRD3DRD4PARP1 | |
| SCHEMBL9031016 | 0.73 | DRD2 (0.47) | DRD2PARP1SIGMAR1HTR1A | |
| SCHEMBL7963787 | 0.73 | HTR1A (0.48) | DRD2PARP1SIGMAR1HTR1AMAPT | |
| SCHEMBL8382616 | 0.72 | QDPR (1.00) | QDPRDRD2DRD3DRD4 | |
| SCHEMBL2989545 | 0.71 | DRD2 (0.61) | DRD2DRD3SIGMAR1HTR1A |
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 |