Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLOD2 | O00469 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | KDM5A | P29375 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | OGG1 | O15527 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL222973 | 0.88 | MPO (0.64) | MPOCYP3A4KDM5ABLMGFER | |
| SCHEMBL9908251 | 0.88 | MPO (0.64) | MPOCYP3A4KDM5ABLMGFER | |
| Hydrochloric Acid SCHEMBL5800195 | 0.86 | MPO (0.61) | MPOCYP3A4KDM5ABLMGFER | |
| Water SCHEMBL8856772 | 0.86 | MPO (0.61) | MPOCYP3A4KDM5ABLMGFER | |
| Benzoic Acid Hydrazide SCHEMBL5591378 | 0.85 | CES1 (0.52) | MPOCYP3A4KDM5ABLMGFER | |
| Trifluoroacetic Acid SCHEMBL2107014 | 0.82 | PLOD2 (0.46) | PLOD2ALDH1A1MAPTLMNAMITF | |
| Trifluoroacetic Acid SCHEMBL30664883 | 0.81 | HDAC2 (0.52) | PLOD2MITFNPC1RAB9ACA2 | |
| Trifluoroacetic Acid SCHEMBL2107013 | 0.81 | OGG1 (0.50) | MPOCYP3A4KDM5ABLMGFER | |
| Isoniazid SCHEMBL6808970 | 0.80 | KDM4E (0.75) | PLOD2MPOCYP3A4KDM5ABLM | |
| Trifluoroacetic Acid SCHEMBL30664872 | 0.78 | ALDH1A1 (0.61) | ALDH1A1KDM4ENPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1918155-B | Compounds and compositions as LXR modulators | IRM LLC | 2010-05-26 | — | — | CN | disclosed |
| CN-1918155-A | Compounds and compositions as lxr modulators | IRM LLC (BM) | 2007-02-21 | — | — | CN | disclosed |