Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.38 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.36 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17433276 | 0.78 | RAB9A (0.37) | PDE10AOPRL1HSD11B1PDK2PDK4 | |
| SCHEMBL21212037 | 0.77 | HSD11B1 (0.36) | PDE10AKCNJ6KCNJ3HSD11B1PDK2 | |
| SCHEMBL16771234 | 0.75 | SCN9A (0.33) | PDE10A | |
| SCHEMBL18400082 | 0.75 | OPRL1 (0.32) | PDE10AOPRL1 | |
| SCHEMBL17062222 | 0.73 | SCN9A (0.37) | OPRL1CCR5 | |
| SCHEMBL23097407 | 0.72 | KCNJ6 (0.38) | PDE10AKCNJ6KCNJ3HSD11B1PDK2 | |
| SCHEMBL18560448 | 0.72 | PDE10A (0.42) | PDE10AKCNJ6KCNJ3HSD11B1MAPT | |
| SCHEMBL17069230 | 0.72 | SCN9A (0.32) | ACHE | |
| SCHEMBL17069222 | 0.72 | SCN9A (0.32) | ACHE | |
| SCHEMBL31652029 | 0.71 | PDE10A (0.42) | PDE10AOPRL1OPRM1RAB9AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922392-A | 1 (miscellaneous) aryl sulfonyl (pyrrolidines or piperidines) 2 carboxamides derivatives and its purposes as TRPA1 antagonists | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |