Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6548849 | 1.00 | HSP90AA1 (0.51) | HSP90AA1HRH3LTA4HMAOBBCHE | |
| SCHEMBL6548755 | 0.87 | HRH1 (0.45) | HSP90AA1HRH3LTA4HMAOBKDM4E | |
| SCHEMBL6548752 | 0.87 | HRH1 (0.45) | HSP90AA1HRH3LTA4HMAOBKDM4E | |
| Maleic Acid SCHEMBL7680908 | 0.84 | HRH1 (0.45) | HSP90AA1HRH3MAOBBCHEACHE | |
| Fumaric Acid SCHEMBL7680912 | 0.84 | HRH1 (0.45) | HSP90AA1HRH3MAOBBCHEACHE | |
| SCHEMBL9004110 | 0.81 | HSP90AA1 (0.50) | HSP90AA1HRH3LTA4HMAOBBCHE | |
| SCHEMBL6549925 | 0.79 | ABCB1 (0.57) | KDM4ECYP2D6 | |
| SCHEMBL6549930 | 0.79 | ABCB1 (0.57) | KDM4ECYP2D6 | |
| SCHEMBL6548872 | 0.77 | ABCB1 (0.55) | KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL7676833 | 0.76 | HSP90AA1 (0.61) | HSP90AA1HRH3MAOBBCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1115697-B1 | UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS | GENE KUTATO KFT N (HU) | 2004-02-04 | — | — | EP | disclosed |
| US-6500823-B1 | ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES | N-GENE RESEARCH LABORATORIES, INC. | 2002-12-31 | — | — | US | disclosed |
| EP-1115697-A1 | UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS | N-Gene Kutato KFT. (HU) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000014054-A1 | UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS | N-Gene Kutató Kft. (HU) | 2000-03-16 | — | — | WO | disclosed |