Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | FABP1 | P07148 | 1/20 | 0.41 |
| ▸ | FABP6 | P51161 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SUMO3 | P55854 | 1/20 | 0.37 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.37 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1002291 | 0.84 | SLC2A1 (0.58) | SLC2A1CXCR4CYP2C19ALDH1A1FABP1 | |
| Methane SCHEMBL28026804 | 0.83 | SLC2A1 (0.56) | SLC2A1CXCR4CYP2C19ALDH1A1FABP1 | |
| Hydrochlorthiazide SCHEMBL15819937 | 0.78 | KMT2A (0.52) | ALDH1A1GAARAB9ANPC1KDM4E | |
| Hydrochlorthiazide SCHEMBL15067547 | 0.75 | MEN1 (0.40) | CXCR4CYP2C19FABP1FABP6GAA | |
| SCHEMBL27688762 | 0.75 | SLC2A1 (0.52) | SLC2A1CXCR4CYP2C19ALDH1A1FABP1 | |
| Hydrochlorthiazide SCHEMBL29287413 | 0.75 | HRH1 (0.36) | ALDH1A1CYP1A2RAB9ANPC1KDM4E | |
| SCHEMBL3345160 | 0.70 | HCAR3 (0.46) | SLC2A1CYP2C19ALDH1A1CYP1A2GAA | |
| Allylbenzene SCHEMBL27537980 | 0.69 | MAOB (0.38) | CYP2C19ALDH1A1CYP1A2GAAKDM4E | |
| Dipyridyl SCHEMBL28155429 | 0.69 | KDM4E (0.58) | ALDH1A1CYP1A2RAB9ANPC1KDM4E | |
| SCHEMBL9453409 | 0.68 | CXCR4 (0.55) | CXCR4CYP2C19ALDH1A1FABP1FABP6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105777741-A | Thiazole alkyl pyridylamine compound and preparation method and application thereof | 湖南化工研究院有限公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-105777741-A | Thiazole alkyl pyridylamine compound and preparation method and application thereof | 湖南化工研究院有限公司 | 2016-07-20 | — | — | CN | disclosed |