Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | PKLR | P30613 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TDO2 | P48775 | 6/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24762617 | 0.84 | USP2 (0.50) | PKMALDH1A1PKLRMAPTUSP2 | |
| SCHEMBL29432528 | 0.84 | PKM (0.54) | PKMALDH1A1PKLRMAPTTSHR | |
| SCHEMBL4554020 | 0.83 | KDM4E (0.61) | PKMALDH1A1PKLRMAPTUSP2 | |
| SCHEMBL20595150 | 0.83 | KDM4E (0.61) | PKMALDH1A1PKLRMAPTUSP2 | |
| SCHEMBL25145575 | 0.82 | PKM (0.54) | PKMALDH1A1PKLRUSP2TDO2 | |
| SCHEMBL2081742 | 0.81 | ALDH1A1 (0.73) | PKMALDH1A1MAPTUSP2TDO2 | |
| SCHEMBL4578854 | 0.81 | CNR1 (0.66) | PKMALDH1A1PKLRMAPTTSHR | |
| SCHEMBL25941353 | 0.81 | ALDH1A1 (0.65) | PKMALDH1A1PKLRMAPTHTR6 | |
| SCHEMBL30754653 | 0.80 | KMT2A (0.56) | PKMALDH1A1PKLRMAPTUSP2 | |
| SCHEMBL18509840 | 0.79 | TDO2 (0.81) | TDO2 |
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-108658978-A | The tetrahydropyridine and pyrazine conditioning agent of GPR6 | 武田药品工业株式会社 | 2018-10-16 | — | — | CN | disclosed |
| CN-105829309-B | Tetrahydropyridopyrazine modulators of GPR6 | 武田药品工业株式会社 | 2018-05-15 | — | — | CN | disclosed |