Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | DAGLB | Q8NCG7 | 1/20 | 0.31 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
| ▸ | CACNA1I | Q9P0X4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3702437 | 0.90 | MDM2 (0.33) | GPBAR1DAGLBDAGLA | |
| SCHEMBL3700538 | 0.89 | — | — | |
| SCHEMBL3701902 | 0.88 | SLC16A3 (0.38) | — | |
| SCHEMBL4131517 | 0.87 | GPBAR1 (0.33) | ALDH1A1NPSR1GPBAR1NOS3NOS1 | |
| SCHEMBL3690717 | 0.87 | ALDH1A1 (0.33) | ALDH1A1NPSR1DAGLBDAGLA | |
| SCHEMBL3697749 | 0.83 | HTR2C (0.45) | NPSR1GPBAR1 | |
| SCHEMBL3706681 | 0.82 | — | — | |
| SCHEMBL3703232 | 0.82 | SLC16A3 (0.31) | — | |
| SCHEMBL3692815 | 0.82 | SCN9A (0.33) | TP53 | |
| SCHEMBL3709568 | 0.82 | SLC16A3 (0.33) | ALDH1A1NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |