Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.46 |
| ▸ | DPP4 | P27487 | 3/20 | 0.37 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 3/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | MC3R | P41968 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.33 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PROC | P04070 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363593 | 0.82 | TRPA1 (0.43) | TRPA1DPP4BCAT1ADORA2BF10 | |
| SCHEMBL21363425 | 0.82 | TRPA1 (0.43) | TRPA1DPP4BCAT1ADORA2BF10 | |
| SCHEMBL20203177 | 0.76 | PIK3CD (0.37) | ADORA2BPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL21363591 | 0.76 | TRPA1 (0.39) | TRPA1ADORA2BF10PIK3CDPOLB | |
| SCHEMBL21363712 | 0.76 | TRPA1 (0.39) | TRPA1ADORA2BF10PIK3CDPOLB | |
| SCHEMBL20187657 | 0.73 | TRPA1 (0.48) | TRPA1DPP4ADORA2BF10F2 | |
| SCHEMBL20187962 | 0.73 | HTT (0.43) | TRPA1ALDH1A1 | |
| SCHEMBL20203178 | 0.72 | TRPA1 (0.45) | TRPA1DPP4ADORA2BF10PIK3CD | |
| SCHEMBL20187573 | 0.71 | DPP4 (0.37) | TRPA1DPP4ADORA2BPIK3CDPOLB | |
| SCHEMBL26155933 | 0.70 | GDA (0.41) | TRPA1DPP4ADORA2BPIK3CDPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544979-B1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-08-04 | — | — | EP | disclosed |
| WO-2018096159-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-31 | — | — | WO | disclosed |