Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | SUCNR1 | Q9BXA5 | 3/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12678469 | 0.89 | SMN1; SMN2 (0.41) | TSHRNPSR1SMN1; SMN2MALT1SUCNR1 | |
| SCHEMBL12678475 | 0.80 | SMN1; SMN2 (0.41) | SMN1; SMN2CD274GRM2GRIN1GRIN2B | |
| SCHEMBL12678468 | 0.79 | ALOX5 (0.38) | TSHRNPSR1MALT1SUCNR1GRM2 | |
| SCHEMBL3031553 | 0.71 | ITGB2 (0.41) | TSHRNPSR1MALT1SUCNR1CD274 | |
| SCHEMBL8063130 | 0.71 | ITGB2 (0.41) | TSHRNPSR1MALT1SUCNR1CD274 | |
| SCHEMBL12678446 | 0.70 | DRD2 (0.42) | SMN1; SMN2HTR7GRIN1GRIN2BPOLB | |
| SCHEMBL12678479 | 0.70 | GRIN1 (0.36) | GRM2GRIN1GRIN2BALDH1A1ALOX5 | |
| SCHEMBL8815542 | 0.69 | SLC6A7 (0.36) | GRM2GRIN1GRIN2BALDH1A1ALOX5 | |
| SCHEMBL12678473 | 0.67 | BACE1 (0.35) | SMN1; SMN2GRM2GRIN1GRIN2BALOX5 | |
| SCHEMBL2785731 | 0.67 | GRM2 (0.40) | TSHRNPSR1MALT1GRM2HTR2A |
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-2009045386-A1 | N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |