Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.59 |
| ▸ | CES1 | P23141 | 3/20 | 0.59 |
| ▸ | HSD17B14 | Q9BPX1 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.34 |
| ▸ | SELP | P16109 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11212084 | 0.91 | CES2 (0.44) | CES2CES1HSD17B14HDAC1CYP1A2 | |
| SCHEMBL1760850 | 0.89 | CES2 (0.73) | CES2CES1HSD17B14BCHEHPGD | |
| SCHEMBL8175257 | 0.83 | CES2 (0.50) | CES2CES1CYP1A2CYP2C9HPGD | |
| SCHEMBL8183026 | 0.82 | CES2 (0.53) | CES2CES1HSD17B14BCHECYP1A2 | |
| SCHEMBL155976 | 0.82 | CES2 (0.46) | CES2CES1BCHEHSD17B1HSD17B2 | |
| SCHEMBL8176130 | 0.80 | CES2 (0.50) | CES2CES1HSD17B14HDAC1HSD17B1 | |
| SCHEMBL8597374 | 0.79 | CES2 (0.44) | CES2CES1BCHEHSD17B1HSD17B2 | |
| SCHEMBL3111227 | 0.79 | CES2 (0.63) | CES2CES1HSD17B14BCHEHPGD | |
| SCHEMBL8177076 | 0.79 | CES2 (0.53) | CES2CES1HSD17B14BCHEHDAC1 | |
| SCHEMBL8179643 | 0.78 | TMPRSS4 (0.49) | CES2CES1CYP1A2CYP2C9HPGD |
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-0410359-A1 | Substituted aminoalkoxy-benzene-derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-30 | — | — | EP | disclosed |