Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | CTSA | P10619 | 4/20 | 0.31 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.31 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.30 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3692814 | 0.94 | SCN9A (0.35) | CTSASLC16A3SLC16A1 | |
| SCHEMBL3703229 | 0.94 | SLC16A3 (0.32) | CTSASLC16A3SLC16A1 | |
| SCHEMBL3709565 | 0.94 | CTSA (0.36) | CTSASLC16A3SLC16A1 | |
| SCHEMBL4194768 | 0.90 | RXRA (0.31) | CTSASLC16A3SLC16A1 | |
| SCHEMBL3814311 | 0.90 | RIPK1 (0.36) | SLC16A3SLC16A1 | |
| SCHEMBL3697750 | 0.89 | TSHR (0.32) | ANO1 | |
| SCHEMBL3029599 | 0.88 | SLC16A3 (0.37) | SLC16A3SLC16A1ALDH1A1 | |
| SCHEMBL3812496 | 0.88 | KCNQ3 (0.33) | KCNQ3KCNQ2 | |
| SCHEMBL3695015 | 0.88 | DHODH (0.30) | — | |
| SCHEMBL3706261 | 0.88 | CNR2 (0.36) | KCNQ3KCNQ2 |
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 |