Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL28852388 | 0.82 | SLC6A2 (0.50) | GID4DRD2DRD1DRD5SLC6A2 | |
| SCHEMBL8022070 | 0.81 | MAOA (0.41) | DRD2DRD1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8027387 | 0.79 | GID4 (0.44) | GID4DRD2DRD1DRD5MAOA | |
| SCHEMBL8030417 | 0.79 | MEN1 (0.44) | DRD2HTR2AADRA1ACYP3A4MAOA | |
| SCHEMBL8028688 | 0.79 | ADRA2A (0.50) | DRD2DRD1DRD5ADRA1ACYP2D6 | |
| SCHEMBL8025971 | 0.77 | DRD2 (0.46) | DRD2DRD1DRD5SLC6A2SLC6A4 | |
| SCHEMBL8027390 | 0.77 | MAOA (0.53) | DRD2DRD1DRD5SLC6A2SLC6A4 | |
| SCHEMBL29339112 | 0.76 | DRD2 (0.47) | DRD2DRD1DRD5MAOAHTR1A | |
| SCHEMBL29339110 | 0.76 | DRD2 (0.46) | DRD2DRD1DRD5LMNAMAOA | |
| SCHEMBL8011249 | 0.76 | NOTUM (0.44) | HTR2ACYP3A4MAOAPRCPMEN1 |
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-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | disclosed |
| CN-1255917-A | Anti-convulsant isoquinolyl-benzamide derivatives | SMITHKLINE BEECHAM PLC (GB) | 2000-06-07 | — | — | CN | disclosed |
| EP-0971897-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998041507-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | disclosed |