Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 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 | |
|---|---|---|---|---|
| SCHEMBL20425505 | 0.86 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4072987 | 0.86 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL28432379 | 0.85 | CYP1A2 (0.62) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1936445 | 0.84 | PPARG (0.43) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1935051 | 0.84 | ADRB2 (0.43) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1935792 | 0.77 | HRH3 (0.47) | KDM4EALDH1A1 | |
| SCHEMBL29115890 | 0.76 | CYP1A2 (0.49) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL29115798 | 0.76 | CYP1A2 (0.49) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL29115797 | 0.76 | CYP1A2 (0.49) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL28617148 | 0.75 | MAPT (0.37) | 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 |