Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12348996 | 0.78 | PPARA (0.36) | PPARAALDH1A1CYP1A2CYP3A4ABCB11 | |
| SCHEMBL1370207 | 0.78 | CA2 (0.42) | PPARAALDH1A1CYP1A2CYP3A4ABCB11 | |
| SCHEMBL7370321 | 0.77 | KCNH2 (0.32) | — | |
| SCHEMBL11384562 | 0.75 | MMP2 (0.33) | PPARAALDH1A1CYP1A2MEN1MAPT | |
| SCHEMBL3572159 | 0.74 | PPARA (0.34) | PPARAPPARG | |
| SCHEMBL11755203 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP1A2MEN1CYP2D6MAPT | |
| SCHEMBL2702794 | 0.72 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL11756059 | 0.72 | CYP1A2 (0.44) | PPARAALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL9671299 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP1A2MEN1MAPTKMT2A | |
| SCHEMBL11758606 | 0.71 | MAOB (0.58) | PPARAPPARG |
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-2384327-A1 | FUSED RING COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-11-09 | — | — | EP | disclosed |
| WO-2010087515-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |
| EP-2074117-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | WO | disclosed |