Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.58 |
| ▸ | PDE4A | P27815 | 5/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.58 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | PNP | P00491 | 2/20 | 0.53 |
| ▸ | MPO | P05164 | 2/20 | 0.44 |
| ▸ | TPO | P07202 | 2/20 | 0.44 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| 3-Methylxanthine SCHEMBL237146 | 0.78 | ADORA2A (0.64) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18112639 | 0.78 | ADORA2A (0.58) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL864455 | 0.78 | ADORA2A (0.58) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5515323 | 0.77 | ADORA2A (0.71) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL30753411 | 0.76 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL4020124 | 0.76 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL9317914 | 0.76 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7466316 | 0.74 | ADORA2A (1.00) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20653044 | 0.74 | ADORA2A (0.58) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30171311 | 0.74 | ADORA2A (0.50) | ADORA2APDE4APDE4BPDE4CPDE4D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869011-A2 | 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS | ABBOTT LABORATORIES (US) | 2007-12-26 | — | — | EP | claimed |
| WO-2006110816-A2 | 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS | ABBOTT LABORATORIES (US) | 2006-10-19 | — | — | WO | claimed |
| CN-100478364-C | Ethylene polymer and molded article obtained therefrom | MITSUI CHEMICALS INC (JP) | 2009-04-15 | — | — | CN | disclosed |
| US-7208559-B2 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2007-04-24 | — | — | US | disclosed |
| US-20060135712-A1 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2006-06-22 | — | — | US | disclosed |
| CN-1732189-A | Ethylene polymer and molded article obtained therefrom | MITSUI CHEMICALS INC (JP) | 2006-02-08 | — | — | CN | disclosed |