Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.33 |
| ▸ | SMO | Q99835 | 4/20 | 0.33 |
| ▸ | RHOA | P61586 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL12876610 | 0.90 | PPARD (0.39) | ALDH1A1L3MBTL1PPARDALOX5APMAPK14 | |
| Trifluoroacetic Acid SCHEMBL2857015 | 0.90 | PPARD (0.38) | ALDH1A1L3MBTL1PPARDALOX5APMAPK14 | |
| SCHEMBL2858915 | 0.83 | MAPK14 (0.35) | ALOX5APMAPK14SMORHOAPPARA | |
| SCHEMBL2860292 | 0.81 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1PPARDKMT2A | |
| SCHEMBL1198663 | 0.78 | MMP13 (0.44) | ALDH1A1L3MBTL1PPARDKMT2ASMN1; SMN2 | |
| SCHEMBL1198589 | 0.78 | MMP13 (0.40) | ALDH1A1L3MBTL1PPARDLDHAKMT2A | |
| Trifluoroacetic Acid SCHEMBL2863073 | 0.77 | GPR132 (0.39) | ALDH1A1PPARDLDHAKMT2APPARA | |
| SCHEMBL2861490 | 0.76 | ALKBH1 (0.44) | ALDH1A1L3MBTL1PPARDKMT2A | |
| SCHEMBL2868652 | 0.76 | ALKBH1 (0.45) | ALDH1A1L3MBTL1PPARDKMT2A | |
| SCHEMBL1198715 | 0.76 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1PPARDKMT2APPARA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2264017-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-12-22 | — | — | EP | disclosed |