Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 4/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1009906 | 0.81 | MAOA (0.53) | MAOAALDH1A1KDM4EMAPTGAA | |
| SCHEMBL1010472 | 0.78 | MAOA (0.50) | MAOAALDH1A1KDM4EMAPTGAA | |
| SCHEMBL30656741 | 0.78 | MAOA (0.50) | MAOAALDH1A1KDM4EMAPTGAA | |
| SCHEMBL29405492 | 0.78 | MAOA (0.50) | MAOAALDH1A1KDM4EMAPTGAA | |
| SCHEMBL11616211 | 0.78 | NOS3 (0.43) | MAOAALDH1A1KDM4EMAPTGAA | |
| SCHEMBL1009165 | 0.78 | MAOA (0.50) | MAOAALDH1A1KDM4EMAPTGAA | |
| SCHEMBL1011035 | 0.78 | MAOA (0.50) | MAOAALDH1A1KDM4EMAPTGAA | |
| SCHEMBL15212365 | 0.77 | NOS3 (0.40) | ALDH1A1KDM4EMAPTGAANOS3 | |
| SCHEMBL5775841 | 0.77 | PLAU (0.47) | ALDH1A1KDM4EMAPTNOS3NOS2 | |
| SCHEMBL29554639 | 0.77 | NOS3 (0.40) | ALDH1A1KDM4EMAPTGAANOS3 |
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-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 |
| 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 |