Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 10/20 | 0.39 |
| ▸ | SLC16A1 | P53985 | 9/20 | 0.39 |
| ▸ | CTSA | P10619 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CCKAR | P32238 | 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 | |
|---|---|---|---|---|
| SCHEMBL3694436 | 0.85 | SLC16A3 (0.39) | SLC16A3SLC16A1CTSABRAF | |
| SCHEMBL3029599 | 0.83 | SLC16A3 (0.37) | SLC16A3SLC16A1ALDH1A1CNR1 | |
| SCHEMBL3701900 | 0.83 | SLC16A3 (0.37) | SLC16A3SLC16A1ALDH1A1CNR1 | |
| SCHEMBL3692822 | 0.83 | SLC16A3 (0.35) | SLC16A3SLC16A1ALDH1A1BRAFCNR1 | |
| SCHEMBL4132130 | 0.83 | SLC16A3 (0.38) | SLC16A3SLC16A1CTSAALDH1A1ADORA1 | |
| SCHEMBL3698138 | 0.82 | SLC16A3 (0.38) | SLC16A3SLC16A1ALDH1A1CNR1 | |
| SCHEMBL3700575 | 0.80 | SLC16A3 (0.40) | SLC16A3SLC16A1CTSAALDH1A1BRAF | |
| SCHEMBL4132125 | 0.80 | SLC16A3 (0.40) | SLC16A3SLC16A1CTSAALDH1A1CNR1 | |
| SCHEMBL3698799 | 0.79 | SLC16A3 (0.40) | SLC16A3SLC16A1CTSAALDH1A1BRAF | |
| SCHEMBL4201749 | 0.79 | SLC16A3 (0.36) | SLC16A3SLC16A1CTSACNR1 |
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 |