Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.37 |
| ▸ | PDE4A | P27815 | 4/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10332847 | 0.94 | CYP1A2 (0.42) | ALDH1A1MAPK1CYP1A2ADORA2APDE4A | |
| SCHEMBL5403856 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP1A2NPSR1ADORA2A | |
| SCHEMBL10562415 | 0.86 | TAAR1 (0.45) | ALDH1A1MAPK1ADORA2AADORA2BHSD17B10 | |
| SCHEMBL9197469 | 0.84 | HPGD (0.51) | ADORA2ACYP3A4ADORA3ADORA1P2RX3 | |
| SCHEMBL10560450 | 0.84 | GSK3B (0.45) | ALDH1A1ADORA2AADORA2BADORA1 | |
| SCHEMBL10559533 | 0.82 | P2RX3 (0.42) | ADORA3P2RX3 | |
| SCHEMBL10560334 | 0.82 | P2RX3 (0.43) | ADORA2BP2RX3 | |
| SCHEMBL10564399 | 0.82 | RGS4 (0.44) | ALDH1A1MAPTP2RX3 | |
| SCHEMBL10557480 | 0.81 | TLR8 (0.38) | ADORA2AADORA2BADORA3ADORA1P2RX3 | |
| SCHEMBL10562559 | 0.80 | KMT2A (0.47) | ALDH1A1CYP1A2ADORA2AADORA2BCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0166054-B1 | 3-AMINOPYRAZOLO(3,4-D)PYRIMIDINE DERIVATIVES AND PRODUCTION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 1989-04-19 | — | — | EP | disclosed |
| US-4603203-A | ANTIINFLAMMATORY, ANALGESIC AND ANTIPYRETIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-07-29 | — | — | US | disclosed |
| EP-0166054-A1 | 3-Aminopyrazolo(3,4-d)pyrimidine derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1986-01-02 | — | — | EP | disclosed |