Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSF1 | Q00613 | 12/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6549259 | 1.00 | HSF1 (0.46) | HSF1ABCB1KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL6550742 | 0.91 | SMN1; SMN2 (0.42) | HSF1ABCB1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL6550745 | 0.91 | SMN1; SMN2 (0.42) | HSF1ABCB1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL6548872 | 0.87 | ABCB1 (0.55) | HSF1ABCB1KDM4ESMN1; SMN2CYP2D6 | |
| Fumaric Acid SCHEMBL6548767 | 0.86 | MEN1 (0.41) | ABCB1SMN1; SMN2MAPK1 | |
| SCHEMBL6549930 | 0.86 | ABCB1 (0.57) | HSF1ABCB1KDM4ECYP2D6TSHR | |
| SCHEMBL6549925 | 0.86 | ABCB1 (0.57) | HSF1ABCB1KDM4ECYP2D6TSHR | |
| SCHEMBL28355080 | 0.81 | TAAR1 (0.45) | HSF1ABCB1KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL6548755 | 0.80 | HRH1 (0.45) | KDM4ENPC1JUNMAPTNFKB1 | |
| SCHEMBL6548752 | 0.80 | HRH1 (0.45) | KDM4ENPC1JUNMAPTNFKB1 |
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 |