Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7126061 | 0.84 | CYP2B6 (0.45) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL2128439 | 0.83 | CYP2B6 (0.50) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL2127685 | 0.83 | CYP2B6 (0.50) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL18112743 | 0.81 | CYP2B6 (0.41) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL703097 | 0.80 | CYP2B6 (0.44) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL4901870 | 0.75 | CYP2B6 (0.45) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL14354383 | 0.74 | CYP2B6 (0.56) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL27927957 | 0.74 | CYP2B6 (0.44) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL5816021 | 0.73 | CYP2B6 (0.43) | CYP2B6CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL2126336 | 0.72 | CHRM3 (0.48) | CYP2D6CHRM2CHRM1KCNH2HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590955-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004378-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |