Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | ACHE | P22303 | 4/20 | 0.53 |
| ▸ | DRD2 | P14416 | 7/20 | 0.50 |
| ▸ | DRD3 | P35462 | 7/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6405616 | 0.94 | DRD2 (0.57) | CA1CA2ACHEDRD2DRD3 | |
| SCHEMBL8766020 | 0.86 | DRD2 (0.51) | CA1CA2ACHEDRD2DRD3 | |
| SCHEMBL16019151 | 0.83 | DRD2 (0.57) | CA1CA2ACHEDRD2DRD3 | |
| SCHEMBL6957834 | 0.82 | HTR1D (0.45) | CA1CA2ACHEHTR2CALDH1A1 | |
| SCHEMBL6958050 | 0.82 | HTR1D (0.45) | CA1CA2ACHEHTR2CALDH1A1 | |
| SCHEMBL6957838 | 0.82 | HTR1D (0.45) | CA1CA2ACHEHTR2CALDH1A1 | |
| SCHEMBL6953263 | 0.80 | CA1 (0.45) | CA1CA2MTNR1AMTNR1BHTR2C | |
| SCHEMBL4857120 | 0.80 | CA1 (0.45) | CA1CA2MTNR1AMTNR1BHTR2C | |
| SCHEMBL14812350 | 0.78 | DRD2 (0.51) | CA1CA2ACHEDRD2DRD3 | |
| SCHEMBL6951218 | 0.77 | HDAC8 (0.32) | CA1CA2ACHEDRD2DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265398-B1 | INSECTICIDES, FUNGICIDES, ANTIFERTILITY AGENTS | HOECHST SCHERING AGREVO GMBH (DE) | 2001-07-24 | — | — | US | disclosed |
| EP-0898565-A1 | SUBSTITUTED PYRIDINES/PYRIMIDINES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PEST CONTROL AGENTS | Hoechst Schering AgrEvo GmbH (DE) | 1999-03-03 | — | — | EP | disclosed |
| WO-1997038979-A1 | SUBSTITUTED PYRIDINES/PYRIMIDINES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PEST CONTROL AGENTS | HOECHST SCHERING AGREVO GMBH (DE) | 1997-10-23 | — | — | WO | disclosed |