Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.43 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | NMT1 | P30419 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29064995 | 1.00 | ADORA2A (0.43) | ADORA2AADORA1CRHR1LDHACYP1A2 | |
| SCHEMBL2552182 | 0.86 | HRH3 (0.45) | ADORA2AADORA1CRHR1CYP1A2ADORA3 | |
| SCHEMBL2552077 | 0.84 | ADORA2A (0.41) | ADORA2AADORA1CRHR1CYP1A2ADORA3 | |
| SCHEMBL3435910 | 0.82 | PDK1 (0.38) | LDHAPTGER1 | |
| SCHEMBL13634351 | 0.82 | PDK1 (0.38) | LDHAPTGER1 | |
| SCHEMBL25933266 | 0.81 | ADORA2A (0.46) | ADORA2AADORA1CRHR1CYP1A2ADORA3 | |
| SCHEMBL13270380 | 0.80 | LDHA (0.47) | ADORA2AADORA1LDHAADORA3ADORA2B | |
| SCHEMBL16594480 | 0.80 | F2RL3 (0.43) | ADORA2AADORA1CRHR1CYP1A2ADORA3 | |
| SCHEMBL15356979 | 0.80 | F2RL3 (0.43) | ADORA2AADORA1CRHR1CYP1A2ADORA3 | |
| SCHEMBL28003524 | 0.80 | ADORA2A (0.41) | ADORA2AADORA1CRHR1CYP1A2ADORA3 |
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-4149459-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION | PMV Pharmaceuticals, Inc. (US) | 2023-03-22 | — | — | EP | disclosed |