Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21296484 | 0.77 | IDO1 (0.42) | TAAR1LMNAIDO1PPARGPPARA | |
| SCHEMBL21395226 | 0.77 | PPARG (0.41) | ALDH1A1TAAR1LMNAIDO1PPARG | |
| SCHEMBL14640229 | 0.77 | TAAR1 (0.45) | ALDH1A1TAAR1LMNAIDO1PPARG | |
| SCHEMBL14640355 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TAAR1LMNAIDO1PPARG | |
| SCHEMBL8433364 | 0.77 | TAAR1 (0.45) | ALDH1A1TAAR1LMNAIDO1PPARG | |
| SCHEMBL6153079 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TAAR1LMNAIDO1PPARG | |
| SCHEMBL6200983 | 0.75 | TAAR1 (0.46) | ALDH1A1TAAR1LMNAIDO1PPARG | |
| SCHEMBL5211715 | 0.75 | TAAR1 (0.46) | ALDH1A1TAAR1LMNAIDO1PPARG | |
| SCHEMBL4269883 | 0.75 | NAPRT (0.36) | — | |
| SCHEMBL19812660 | 0.74 | TAAR1 (0.47) | ALDH1A1TAAR1LMNAIDO1PPARG |
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-1919865-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026916-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-08 | — | — | WO | disclosed |