Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.31 |
| ▸ | ITGAV | P06756 | 2/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.31 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3649651 | 0.78 | ABCC9 (0.39) | ITGB3ITGAVITGA2B | |
| SCHEMBL4132086 | 0.77 | SMN1; SMN2 (0.37) | PIK3CAPIK3CGNPC1RAB9AALDH1A1 | |
| SCHEMBL3650699 | 0.75 | NR1D1 (0.32) | PIK3CAPIK3CGNPC1RAB9ATBXAS1 | |
| SCHEMBL4132076 | 0.75 | LMNA (0.37) | PIK3CAPIK3CGPKMNPC1RAB9A | |
| SCHEMBL3652851 | 0.74 | POLB (0.34) | — | |
| SCHEMBL3649825 | 0.72 | DYRK1A (0.34) | — | |
| SCHEMBL3650678 | 0.70 | EDNRA (0.40) | ALDH1A1 | |
| SCHEMBL3799194 | 0.70 | ABCC9 (0.35) | ITGB3ITGAVITGA2B | |
| SCHEMBL3799450 | 0.69 | CYP26A1 (0.34) | ALDH1A1 | |
| SCHEMBL4023651 | 0.69 | DYRK1A (0.33) | — |
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 |