Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.40 |
| ▸ | PLAT | P00750 | 3/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL16827870 | 0.88 | PLAT (0.37) | SIGMAR1SLC18A3GABRA1GABRB2PLAT | |
| SCHEMBL19308663 | 0.77 | RBP4 (0.37) | HRH3 | |
| SCHEMBL11089581 | 0.72 | SIGMAR1 (0.44) | SIGMAR1SLC18A3GABRA1GABRB2HTR3E | |
| SCHEMBL250225 | 0.71 | PLAT (0.42) | GABRA1GABRB2PLATHRH3 | |
| Hydrochloric Acid SCHEMBL27035780 | 0.70 | PLAT (0.41) | GABRA1GABRB2PLATHTR2CHRH3 | |
| SCHEMBL13117192 | 0.69 | ICMT (0.46) | SIGMAR1SLC18A3GABRA1GABRB2HTR3E | |
| SCHEMBL16845859 | 0.67 | SMYD3 (0.49) | SIGMAR1SLC18A3HTR2CKHK | |
| SCHEMBL9836998 | 0.65 | HTR6 (0.61) | SIGMAR1SLC18A3GABRA1GABRB2HTR2C | |
| SCHEMBL2852407 | 0.64 | CRACR2A (0.50) | PLATKHK | |
| Hydrochloric Acid SCHEMBL6160185 | 0.64 | HTR6 (0.60) | SIGMAR1SLC18A3GABRA1GABRB2HTR2C |
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-105814037-B | N1- (the fluoro- 2- hydroxy-2-methyl propiono of 3,3,3- tri-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase | 默克专利股份公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-105814037-A | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | 默克专利股份公司 | 2016-07-27 | — | — | CN | disclosed |