Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 11/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5153327 | 0.83 | AKR1C3 (0.38) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL1343470 | 0.78 | CYP1A2 (0.44) | AKR1C3AKR1C2 | |
| SCHEMBL16963923 | 0.77 | CES2 (0.46) | CES2CES1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL27934340 | 0.77 | CES2 (0.41) | CES2CES1 | |
| SCHEMBL1966206 | 0.76 | KCNQ2 (0.49) | CES2CES1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL30427742 | 0.76 | KCNQ2 (0.49) | CES2CES1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL154992 | 0.76 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL19200334 | 0.76 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL909711 | 0.76 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL23412757 | 0.76 | CES2 (0.40) | CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103172539-B | The preparation method of Glucovance sitagliptin intermediate aminobenzene butyric acid derivative | 上海阳帆医药科技有限公司 | 2016-08-03 | — | — | CN | disclosed |