Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29129479 | 0.84 | TSHR (0.54) | TSHRALDH1A1GAACA12CA1 | |
| SCHEMBL28595580 | 0.84 | TSHR (0.54) | TSHRALDH1A1GAACA12CA1 | |
| SCHEMBL5674337 | 0.83 | ALDH1A1 (0.54) | TSHRALDH1A1GAACA12CA1 | |
| SCHEMBL145262 | 0.81 | TSHR (0.60) | TSHRALDH1A1GAACA12CA1 | |
| SCHEMBL3617827 | 0.79 | SLC6A2 (0.45) | TSHRALDH1A1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL15457715 | 0.79 | SLC6A2 (0.45) | TSHRALDH1A1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL8243727 | 0.79 | EPHX1 (0.58) | TSHRALDH1A1GAADPP4KCNH2 | |
| SCHEMBL21057414 | 0.79 | EPHX1 (0.58) | TSHRALDH1A1GAADPP4KCNH2 | |
| SCHEMBL21057485 | 0.79 | EPHX1 (0.58) | TSHRALDH1A1GAADPP4KCNH2 | |
| SCHEMBL29385701 | 0.76 | TSHR (0.51) | TSHRALDH1A1GAACA12CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3661931-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-06-10 | — | — | EP | disclosed |
| WO-2019027054-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-02-07 | — | — | WO | disclosed |
| EP-3325475-A1 | OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2018-05-30 | — | — | EP | disclosed |
| WO-2017014321-A1 | OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-01-26 | — | — | WO | disclosed |