Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAT1 | P18440 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | LIPC | P11150 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL3650322 | 0.88 | NFE2L2 (0.38) | ALDH1A1NAMPT | |
| SCHEMBL3803807 | 0.87 | ALDH1A1 (0.31) | LIPGALDH1A1LIPC | |
| SCHEMBL3654637 | 0.86 | NR3C1 (0.38) | NAMPT | |
| SCHEMBL3650372 | 0.82 | NR3C1 (0.35) | NAMPT | |
| SCHEMBL3654769 | 0.82 | RXFP1 (0.31) | GRM4NAMPT | |
| SCHEMBL3648322 | 0.82 | ALDH1A1 (0.31) | LIPGALDH1A1LIPC | |
| Hydrochloric Acid SCHEMBL3649192 | 0.81 | NR3C1 (0.36) | NAMPT | |
| SCHEMBL3652253 | 0.79 | HTR6 (0.32) | — | |
| SCHEMBL4028250 | 0.77 | AGTR2 (0.32) | NAT1LIPGGRM4 | |
| Hydrochloric Acid SCHEMBL3650276 | 0.76 | HTR6 (0.34) | ALDH1A1 |
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 2 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-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |