Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11323761 | 0.71 | DRD2 (0.56) | MTNR1AMTNR1BDRD2DRD3 | |
| SCHEMBL7800047 | 0.70 | DRD2 (0.61) | DRD2DRD3 | |
| SCHEMBL7800045 | 0.70 | DRD2 (0.61) | DRD2DRD3 | |
| SCHEMBL7333795 | 0.68 | DRD3 (0.46) | DRD2DRD3 | |
| SCHEMBL7333787 | 0.68 | DRD3 (0.46) | DRD2DRD3 | |
| SCHEMBL14882852 | 0.68 | DRD2 (0.70) | MTNR1AMTNR1BDRD2DRD3 | |
| SCHEMBL7342658 | 0.67 | DRD2 (0.47) | DRD2DRD3 | |
| SCHEMBL7342652 | 0.67 | DRD2 (0.47) | DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL7330498 | 0.66 | DRD3 (0.53) | DRD2DRD3 | |
| SCHEMBL8768606 | 0.65 | POLB (0.50) | MAPK1MTNR1AMTNR1BPOLB |
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-4256741-A | INSECTICIDES, MITICIDES, APHIDICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1981-03-17 | — | — | US | claimed |
| EP-0006217-B1 | SUBSTITUTED AMINO ACIDS, THEIR USE AND PREPARATION, AND COMPOSITIONS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1982-03-31 | — | — | EP | disclosed |
| US-4243678-A | GASTROINTESTINAL DISORDERS, LIVER DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-01-06 | — | — | US | disclosed |
| EP-0006217-A1 | Substituted amino acids, their use and preparation, and compositions containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1980-01-09 | — | — | EP | disclosed |