Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26999922 | 0.95 | TSHR (0.44) | CYP1A2TSHREPHX2SMN1; SMN2GLA | |
| SCHEMBL26208342 | 0.91 | SMN1; SMN2 (0.43) | CYP1A2TSHREPHX2SMN1; SMN2 | |
| SCHEMBL13333885 | 0.85 | CYP1A2 (0.45) | CYP1A2S1PR1S1PR3S1PR5 | |
| SCHEMBL4295231 | 0.82 | EPHX2 (0.40) | TSHREPHX2SMN1; SMN2GLA | |
| SCHEMBL24872393 | 0.80 | CYP1A2 (0.44) | CYP1A2DRD1HRH2HTR2AHTR2C | |
| SCHEMBL26729103 | 0.80 | CHRM3 (0.42) | CYP1A2SMN1; SMN2 | |
| SCHEMBL12847853 | 0.79 | ALDH1A1 (0.43) | CYP1A2EPHX2SMN1; SMN2 | |
| SCHEMBL12847854 | 0.78 | SMN1; SMN2 (0.38) | CYP1A2SMN1; SMN2 | |
| SCHEMBL2017584 | 0.77 | CYP1A2 (0.67) | CYP1A2HTR2AADRA2AS1PR1S1PR3 | |
| SCHEMBL25424091 | 0.77 | TSHR (0.41) | TSHREPHX2SMN1; SMN2GLA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009124733-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |