Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC9 | O60706 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 5/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL3653192 | 0.90 | ABCC9 (0.36) | ABCC9ABCC8KCNJ11KCNJ8GPBAR1 | |
| SCHEMBL3648437 | 0.88 | GPBAR1 (0.36) | ABCC9ABCC8KCNJ11KCNJ8MCL1 | |
| SCHEMBL3654495 | 0.87 | ABCC9 (0.37) | ABCC9ABCC8KCNJ11KCNJ8GPBAR1 | |
| SCHEMBL3649651 | 0.82 | ABCC9 (0.39) | ABCC9ABCC8KCNJ11KCNJ8NAMPT | |
| SCHEMBL4126094 | 0.81 | NAMPT (0.35) | NAMPTALDH1A1TBXAS1 | |
| SCHEMBL3650556 | 0.81 | NAMPT (0.35) | GPBAR1NAMPTCYP2C9PIK3CDPIK3CA | |
| SCHEMBL4126083 | 0.80 | GPBAR1 (0.36) | GPBAR1NAMPTALDH1A1LMNAHTT | |
| Fumaric Acid SCHEMBL3650347 | 0.79 | TBXAS1 (0.36) | NAMPTALDH1A1LMNAHTTNPSR1 | |
| Fumaric Acid SCHEMBL3650341 | 0.79 | TBXAS1 (0.36) | NAMPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL3645990 | 0.79 | PTGER2 (0.35) | ABCC9ABCC8KCNJ11KCNJ8GPBAR1 |
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 |