Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13376205 | 0.72 | DAO (0.55) | AKR1C2AKR1C1CNR1CNR2HSD17B10 | |
| SCHEMBL20288135 | 0.70 | HPGD (0.48) | AKR1C2AKR1C1CNR1HSD17B10HSD17B1 | |
| SCHEMBL27316069 | 0.69 | HSD17B1 (0.53) | CNR1CNR2HSD17B10HSD17B1HSD17B2 | |
| SCHEMBL2444390 | 0.69 | LMNA (0.45) | HSD17B10PTPN5 | |
| SCHEMBL2319480 | 0.68 | PGR (0.46) | CNR1CNR2HSD17B10PTPN5DHODH | |
| SCHEMBL26781853 | 0.68 | HSD17B1 (0.41) | CNR1CNR2HSD17B1HSD17B2CYP3A4 | |
| SCHEMBL23773782 | 0.67 | ALDH1A1 (0.43) | HSD17B10HSD17B1HSD17B2ALDH1A1CYP3A4 | |
| SCHEMBL12960188 | 0.67 | HSD17B10 (0.47) | HSD17B10DHODHHSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL2319472 | 0.67 | ATP4A (0.39) | AKR1C2AKR1C1HSD17B10PTPN5DHODH | |
| SCHEMBL2556636 | 0.67 | ATP4A (0.39) | HSD17B10PTPN5DHODHHSD17B1HSD17B2 |
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-2097387-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-04 | — | — | EP | disclosed |