Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5059395 | 0.87 | PTGS1 (0.55) | KDM4EALOX15MAPTALOX12ALDH1A1 | |
| SCHEMBL11363902 | 0.78 | ALOX15 (0.55) | KDM4EALOX15MAPTALDH1A1CYP1A2 | |
| SCHEMBL28312413 | 0.77 | ALOX15 (0.54) | KDM4EALOX15MAPTALDH1A1CYP1A2 | |
| SCHEMBL25835 | 0.77 | ALDH1A1 (0.60) | KDM4EALOX15MAPTALOX12ALDH1A1 | |
| SCHEMBL3695330 | 0.76 | HSD17B10 (0.49) | KDM4EALOX15MAPTALOX12ALDH1A1 | |
| 4,4-Diantipyrylmethane Monohydrate SCHEMBL3879841 | 0.75 | ALOX15 (0.62) | KDM4EALOX15ALDH1A1CYP1A2CYP2D6 | |
| Water SCHEMBL30370095 | 0.74 | ALDH1A1 (0.47) | KDM4EALOX15ALDH1A1CYP1A2CYP2D6 | |
| 4,4-Diantipyrylmethane Monohydrate SCHEMBL8664775 | 0.73 | ALOX15 (0.60) | KDM4EALOX15ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL4324895 | 0.73 | ALOX15 (0.60) | KDM4EALOX15ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28049673 | 0.72 | BCHE (0.63) | KDM4EALOX15MAPTALDH1A1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109897002-B | Preparation of 1-phenyl-2, 3-dimethyl-4-methylaminopyrazolin-5-one-N-methyl magnesium sulfonate hexahydrate | 武汉武药制药有限公司 | 2022-06-17 | — | — | CN | disclosed |
| EP-1860158-B1 | Particles comprising a substrate and an anion-binding layer | MERCK PATENT GMBH (DE) | 2013-12-04 | — | — | EP | disclosed |
| US-7914893-B2 | Particles comprising an anion-binding layer containing anion-forming organic active compounds, and method of making and using thereof | MERCK PATENT GMBH (DE) | 2011-03-29 | — | — | US | disclosed |
| US-20070275244-A1 | Particles | MERCK PATENT GMBH | 2007-11-29 | — | — | US | disclosed |
| EP-1860158-A2 | Particles comprising a substrate and an anion-binding layer | MERCK PATENT GmbH (DE) | 2007-11-28 | — | — | EP | disclosed |