Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.39 |
| ▸ | F2 | P00734 | 3/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.31 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.31 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.31 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3650554 | 0.92 | HTR2C (0.37) | GPBAR1F2RXFP1HTR2CSLC6A4 | |
| SCHEMBL3645987 | 0.88 | GPBAR1 (0.36) | GPBAR1F2RXFP1PTGER2HTR2C | |
| SCHEMBL4130745 | 0.88 | GPBAR1 (0.40) | GPBAR1RXFP1PTGER2ALDH1A1PKM | |
| SCHEMBL3799197 | 0.87 | SOS1 (0.35) | F2PTGER2HTR2CSLC6A4NAMPT | |
| Hydrochloric Acid SCHEMBL3654116 | 0.84 | HTR6 (0.35) | GPBAR1F2RXFP1PTGER2ALDH1A1 | |
| SCHEMBL3803075 | 0.83 | ALDH1A1 (0.33) | GPBAR1F2ALDH1A1HTR2CSLC6A4 | |
| SCHEMBL3648440 | 0.82 | GPBAR1 (0.38) | GPBAR1RXFP1PTGER2NAMPTABCC9 | |
| SCHEMBL3654948 | 0.82 | F2 (0.35) | GPBAR1F2HTR2CSLC6A4AGTR2 | |
| SCHEMBL3654305 | 0.81 | GPBAR1 (0.35) | GPBAR1F2PTGER2NAMPT | |
| SCHEMBL3651630 | 0.81 | HTR2C (0.32) | HTR2CSLC6A4AGTR2 |
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 |