Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.44 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MAP2 | P11137 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16119858 | 0.82 | ALDH1A1 (0.43) | CYP2A6FABP4CSNK2A1FABP5PTGS2 | |
| SCHEMBL26456968 | 0.82 | CSNK2A1 (0.44) | CYP2A6FABP4CSNK2A1PTGS2PRKAB2 | |
| SCHEMBL30296558 | 0.82 | CSNK2A1 (0.44) | CYP2A6FABP4CSNK2A1PTGS2PRKAB2 | |
| SCHEMBL29420036 | 0.81 | AHR (0.58) | CYP2A6CSNK2A1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL2934305 | 0.81 | AHR (0.58) | CYP2A6CSNK2A1PRKAB2PRKAG1PRKAA2 | |
| Hydrogen Sulfide SCHEMBL5139770 | 0.79 | AHR (0.56) | CYP2A6CSNK2A1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL2317547 | 0.78 | ALDH1A1 (0.43) | CYP2A6FABP4CSNK2A1FABP5PTGS2 | |
| SCHEMBL25353660 | 0.77 | CYP2A6 (0.39) | CYP2A6FABP4CSNK2A1FABP5PTGS2 | |
| SCHEMBL15653901 | 0.77 | AHR (0.60) | CYP2A6CSNK2A1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL26011180 | 0.76 | LMNA (0.41) | CYP2A6CSNK2A1ALPLADORA2AADORA1 |
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-0690046-B1 | Method of preparation of biphenyls using palladacyclen as catalyst | CLARIANT GMBH (DE) | 1998-12-23 | — | — | EP | disclosed |
| US-5559277-A | Process for preparing biphenyls using palladacycles as catalysts | HOECHST AG (DE) | 1996-09-24 | — | — | US | disclosed |
| EP-0690046-A1 | Method of preparation of biphenyls using palladacyclen as catalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-01-03 | — | — | EP | disclosed |