Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.37 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.37 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.37 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 4/20 | 0.34 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3653602 | 0.88 | NAT1 (0.31) | NAMPTALDH1A1 | |
| SCHEMBL3651480 | 0.87 | ABCC9 (0.37) | NFE2L2GLO1SLC40A1ABCC9ABCC8 | |
| SCHEMBL3654637 | 0.87 | NR3C1 (0.38) | GLO1SLC40A1KAT6ANAMPT | |
| SCHEMBL3803807 | 0.86 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL3650372 | 0.83 | NR3C1 (0.35) | GLO1SLC40A1NAMPT | |
| SCHEMBL3648322 | 0.82 | ALDH1A1 (0.31) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3649192 | 0.81 | NR3C1 (0.36) | GLO1SLC40A1NAMPT | |
| SCHEMBL3653610 | 0.81 | PIK3CA (0.35) | NPC1 | |
| SCHEMBL3652253 | 0.80 | HTR6 (0.32) | — | |
| SCHEMBL2409435 | 0.78 | MET (0.43) | NFE2L2GLO1SLC40A1ABCC9ABCC8 |
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 |