Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4859844 | 0.99 | DRD2 (0.44) | DRD2SLC6A4SIGMAR1ADRA1D | |
| SCHEMBL4256446 | 0.95 | DRD2 (0.49) | DRD2SLC6A4SIGMAR1DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL5014926 | 0.94 | DRD2 (0.48) | DRD2SLC6A4SIGMAR1DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL4856853 | 0.91 | DRD2 (0.52) | DRD2SLC6A4DRD1DRD4DRD5 | |
| Hydrochloric Acid SCHEMBL4854734 | 0.88 | SIGMAR1 (0.51) | DRD2SIGMAR1DRD1DRD4DRD5 | |
| Hydrochloric Acid SCHEMBL4856113 | 0.86 | DRD2 (0.57) | DRD2SLC6A4SIGMAR1DRD3 | |
| Hydrochloric Acid SCHEMBL4856158 | 0.82 | DRD2 (0.41) | DRD2SLC6A4SIGMAR1ADRA1D | |
| SCHEMBL14064783 | 0.82 | DRD2 (0.48) | DRD2SLC6A4DRD1DRD4DRD5 | |
| Hydrochloric Acid SCHEMBL4856046 | 0.81 | OPRM1 (0.41) | DRD2SLC6A4SIGMAR1ADRA1D | |
| Hydrochloric Acid SCHEMBL4859612 | 0.81 | OPRL1 (0.41) | DRD2SIGMAR1DRD3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1698620-B1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | EISAI R&D MAN CO LTD (JP) | 2016-09-28 | — | — | EP | disclosed |