Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.38 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.38 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892526 | 0.94 | ADORA3 (0.47) | ADORA2AADORA1ADORA2BADORA3PTGS1 | |
| SCHEMBL8892913 | 0.87 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3PTGS1 | |
| Trifluoroacetic Acid SCHEMBL8901207 | 0.86 | ALDH1A1 (0.40) | ADORA2AADORA1ADORA2BADORA3MAPT | |
| Trifluoroacetic Acid SCHEMBL8894608 | 0.82 | ADORA3 (0.40) | ADORA3MAPTMEN1ALDH1A1GAA | |
| Trifluoroacetic Acid SCHEMBL8894379 | 0.82 | NEU3 (0.33) | MAPTMEN1ALDH1A1POLBGAA | |
| Trifluoroacetic Acid SCHEMBL8891099 | 0.81 | ADORA3 (0.41) | ADORA3MAPTMEN1ALDH1A1POLB | |
| SCHEMBL8901022 | 0.79 | ADORA3 (0.44) | ADORA2AADORA1ADORA2BADORA3MAPT | |
| Trifluoroacetic Acid SCHEMBL8902577 | 0.78 | KEAP1 (0.42) | MAPTMEN1ALDH1A1KMT2ATP53 | |
| SCHEMBL8891085 | 0.76 | TLR8 (0.41) | ADORA2AADORA1ADORA2BADORA3MAPT | |
| SCHEMBL8891817 | 0.76 | ADORA3 (0.44) | ADORA3MAPTMEN1ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997033872-A1 | ANTI-VIRAL 4-ACYLAMINO-3-[IMIDAZOL-I-YL]-BENZOIC ACID DERIVATIVES | BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) | 1997-09-18 | — | — | WO | disclosed |