Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1937037 | 0.84 | CYP1A2 (0.44) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL20425505 | 0.83 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4072987 | 0.83 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL28432379 | 0.83 | CYP1A2 (0.62) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1935051 | 0.82 | ADRB2 (0.43) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1935792 | 0.80 | HRH3 (0.47) | KDM4E | |
| SCHEMBL28617148 | 0.72 | MAPT (0.37) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL13752316 | 0.72 | PPARG (0.40) | PPARGPPARAEPHX2NOS3NOS1 | |
| SCHEMBL28708702 | 0.71 | PPARG (0.35) | PPARGPPARACYP1A2SMN1; SMN2CYP2D6 | |
| SCHEMBL31433115 | 0.70 | CYP1A2 (0.45) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331518-A1 | NEW BRADYKININ B1 ANTAGONISTS | Evotec AG (DE) | 2011-06-15 | — | — | EP | disclosed |