Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1490975 | 0.78 | EPHX2 (0.44) | TEAD1TSHRKMT2ATRPV1 | |
| SCHEMBL3945570 | 0.78 | NR4A1 (0.61) | CES2CES1GSK3BNR4A1NR4A2 | |
| SCHEMBL1350180 | 0.77 | CES2 (0.59) | CES2CES1GSK3BNR4A1NR4A2 | |
| SCHEMBL1490921 | 0.76 | P4HB (0.43) | MAOBP4HB | |
| SCHEMBL3945957 | 0.75 | NR4A1 (0.62) | CES2CES1GSK3BNR4A1NR4A2 | |
| SCHEMBL3945969 | 0.75 | NR4A1 (0.62) | CES2CES1GSK3BNR4A1NR4A2 | |
| SCHEMBL16502 | 0.75 | AKT1 (0.56) | CES2CES1TGM2CYP1A2MEN1 | |
| SCHEMBL7934173 | 0.73 | PTPN1 (0.59) | CES2CES1GSK3BNR4A1NR4A2 | |
| SCHEMBL25252302 | 0.72 | NR4A1 (0.58) | CES2CES1GSK3BNR4A1NR4A2 | |
| SCHEMBL3944247 | 0.72 | NR4A1 (0.68) | CES2CES1GSK3BNR4A1NR4A2 |
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-2477698-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | Centre National de la Recherche Scientifique (FR) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011033115-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-03-24 | — | — | WO | disclosed |