Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 11/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | MC3R | P41968 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20203371 | 0.79 | TRPA1 (0.39) | TRPA1 | |
| SCHEMBL20203174 | 0.77 | ADORA2A (0.48) | TRPA1ADORA2AADORA2BGDAPIK3CD | |
| SCHEMBL25165827 | 0.74 | TRPA1 (0.36) | TRPA1 | |
| Hydrochloric Acid SCHEMBL18704207 | 0.73 | ADORA2B (0.48) | TRPA1ADORA2BPOLBLMNA | |
| SCHEMBL17164066 | 0.68 | ALDH1A1 (0.45) | ADORA2APOLBBLMALDH1A1LMNA | |
| SCHEMBL25165828 | 0.68 | ADORA2A (0.50) | TRPA1ADORA2AADORA2BGDAPIK3CD | |
| SCHEMBL20203177 | 0.68 | PIK3CD (0.37) | ADORA2AADORA2BGDAPIK3CDPOLB | |
| SCHEMBL9604644 | 0.63 | ADORA2A (0.46) | ADORA2AADORA2BADORA1LMNA | |
| SCHEMBL14930043 | 0.61 | ADORA2A (0.40) | ADORA2AADORA2BGDAPIK3CDPOLB | |
| SCHEMBL10328327 | 0.61 | ACVR1 (0.51) | TRPA1PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544979-B1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-08-04 | — | — | EP | disclosed |