Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RGS4 | P49798 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10501681 | 0.94 | ALDH1A1 (0.41) | CYP1A2ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10560450 | 0.84 | GSK3B (0.45) | ADORA2AALDH1A1ADRA2AL3MBTL1LMNA | |
| SCHEMBL10561004 | 0.82 | HPGD (0.49) | ALDH1A1ADRA2AL3MBTL1LMNAGAA | |
| SCHEMBL5403856 | 0.82 | ALDH1A1 (0.56) | CYP1A2ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10559972 | 0.81 | ADRA2A (0.47) | ADRA2A | |
| SCHEMBL10562415 | 0.80 | TAAR1 (0.45) | ADORA2AALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL10992886 | 0.80 | CYP1A2 (0.51) | CYP1A2CNR2ALDH1A1ADRA2AMAPK1 | |
| SCHEMBL10562966 | 0.79 | TLR8 (0.41) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL10564399 | 0.76 | RGS4 (0.44) | ALDH1A1RGS4LMNAMAPTSMN1; SMN2 | |
| SCHEMBL10560334 | 0.76 | P2RX3 (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4912104-A | Containing ketone group in position 2 and 4 of ring | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-03-27 | — | — | US | disclosed |
| EP-0166054-B1 | 3-AMINOPYRAZOLO(3,4-D)PYRIMIDINE DERIVATIVES AND PRODUCTION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 1989-04-19 | — | — | EP | disclosed |
| EP-0306185-A1 | Tricyclic fused pyrimidine derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-03-08 | — | — | 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 |