Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | CKS1B | P61024 | 1/20 | 0.32 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3650556 | 0.93 | NAMPT (0.35) | GPBAR1AGTR2SLC40A1EGFR | |
| SCHEMBL3645989 | 0.88 | ABCC9 (0.35) | GPBAR1MCL1ABCC9ABCC8KCNJ11 | |
| SCHEMBL3799194 | 0.87 | ABCC9 (0.35) | MCL1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL3803071 | 0.83 | KDM4E (0.33) | MCL1AGTR2 | |
| SCHEMBL3654308 | 0.81 | SLC22A12 (0.33) | GPBAR1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL3652836 | 0.81 | AGTR2 (0.34) | ABCC9ABCC8KCNJ11KCNJ8AGTR2 | |
| SCHEMBL3654949 | 0.81 | AGTR2 (0.33) | GPBAR1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL4130748 | 0.81 | POLB (0.36) | GPBAR1SLC40A1CKS1BSKP2ITGB3 | |
| SCHEMBL3806158 | 0.80 | AGTR2 (0.32) | MCL1AGTR2 | |
| SCHEMBL3653192 | 0.80 | ABCC9 (0.36) | GPBAR1ABCC9ABCC8KCNJ11KCNJ8 |
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 |