Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 10/20 | 0.57 |
| ▸ | EPHA2 | P29317 | 8/20 | 0.56 |
| ▸ | KDR | P35968 | 5/20 | 0.56 |
| ▸ | EPHB4 | P54760 | 4/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL7328948 | 0.94 | DRD4 (0.54) | DRD4EPHA2KDREPHB4ERBB2 | |
| SCHEMBL9370762 | 0.81 | KDM4E (0.51) | DRD4HRH3 | |
| SCHEMBL27991036 | 0.79 | DRD4 (0.62) | DRD4HRH3 | |
| SCHEMBL9696871 | 0.79 | KDM4E (0.50) | HRH3 | |
| Hydrochloric Acid SCHEMBL27357671 | 0.78 | KDM4E (0.49) | HRH3 | |
| Oxalic Acid SCHEMBL7327776 | 0.78 | DRD4 (0.57) | DRD4HRH3 | |
| Oxalic Acid SCHEMBL9368451 | 0.75 | KDM4E (0.55) | HRH3 | |
| SCHEMBL19381943 | 0.73 | DRD4 (0.67) | DRD4HRH3 | |
| SCHEMBL8857234 | 0.73 | DRD4 (0.57) | DRD4 | |
| SCHEMBL10815638 | 0.73 | EBP (0.44) | DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0629190-A1 | COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-21 | — | — | EP | claimed |
| WO-1993015052-A1 | COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-08-05 | — | — | WO | claimed |