Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.47 |
| ▸ | MC3R | P41968 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.45 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21393459 | 0.80 | ADORA2B (0.49) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL21961 | 0.79 | ADORA2B (0.47) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL31288035 | 0.79 | ADORA2B (0.47) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| Hydrochloric Acid SCHEMBL17186276 | 0.77 | ADORA2A (0.46) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL31646363 | 0.76 | ADORA2B (0.45) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL20203174 | 0.74 | ADORA2A (0.48) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL9466617 | 0.72 | ADORA2A (0.38) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL21363449 | 0.69 | ADORA2A (0.38) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL2775208 | 0.68 | GDA (0.32) | ADORA2BADORA2AGDAPIK3CDPOLB | |
| SCHEMBL21367881 | 0.68 | ADORA2B (0.40) | ADORA2BADORA2AGDAPIK3CDPOLB |
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-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |