Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HNF4A | P41235 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL3817229 | 0.80 | PYGL (0.43) | TSHRHSD17B10CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8772370 | 0.77 | CYP3A4 (0.50) | HSD17B10CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL5671970 | 0.76 | APP (0.59) | CA2CA1TSHRHSD17B10HSP90AA1 | |
| SCHEMBL25026499 | 0.75 | CYP3A4 (0.46) | CA2CA1TSHRHSD17B10ESR2 | |
| SCHEMBL8772088 | 0.75 | CYP1A1 (0.39) | TSHRCYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL8772677 | 0.75 | CYP1A1 (0.40) | CYP1A1CYP1A2CYP1B1PYGL | |
| SCHEMBL407449 | 0.74 | TSHR (0.50) | CA2CA1TSHRHSD17B10ESR2 | |
| SCHEMBL7160560 | 0.74 | HSD17B10 (0.50) | CA2CA1TSHRHSD17B10ESR2 | |
| SCHEMBL8306218 | 0.74 | TSHR (0.50) | CA2CA1TSHRHSD17B10ESR2 | |
| SCHEMBL8865572 | 0.73 | ALDH1A1 (0.44) | HSD17B10CYP1A2HPGDARALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004072243-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2004-08-26 | — | — | WO | disclosed |