Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3089324 | 0.82 | — | — | |
| SCHEMBL28686716 | 0.79 | ADORA2B (0.34) | HCAR2ADORA2BCHRM2CHRM4CHRM5 | |
| SCHEMBL18825946 | 0.78 | KDR (0.41) | HCAR2ADORA2BCHRM2CHRM4CHRM5 | |
| SCHEMBL31087550 | 0.77 | KDR (0.43) | HCAR2ADORA2BCHRM2CHRM4CHRM5 | |
| SCHEMBL146605 | 0.77 | KDR (0.43) | HCAR2ADORA2BCHRM2CHRM4CHRM5 | |
| SCHEMBL27607674 | 0.73 | AKR1C3 (0.44) | — | |
| Formic Acid SCHEMBL27498740 | 0.73 | HCAR2 (0.38) | HCAR2ADORA2BKDR | |
| SCHEMBL28617553 | 0.70 | ADORA2B (0.33) | ADORA2B | |
| SCHEMBL7764545 | 0.70 | ESR2 (0.34) | — | |
| SCHEMBL27320198 | 0.69 | DRD2 (0.45) | HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101945839-A | Process for producing conjugated aromatic compound | SUMITOMO CHEMICAL CO | 2011-01-12 | — | — | CN | disclosed |
| CN-101827854-A | Transition metal complex and method for producing conjugated aromatic compound using same | SUMITOMO CHEMICAL CO | 2010-09-08 | — | — | CN | disclosed |
| CN-101772508-A | Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex | SUMITOMO CHEMICAL CO | 2010-07-07 | — | — | CN | disclosed |