Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL577105 | 0.89 | MEN1 (0.41) | MEN1CYP2C9KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL28581226 | 0.86 | OPRM1 (0.39) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL28916442 | 0.83 | AKR1B1 (0.41) | MEN1CYP2C9KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL28586518 | 0.83 | MAP3K14 (0.42) | MEN1CYP2C9KMT2AHSD11B1MAPK1 | |
| SCHEMBL9721742 | 0.83 | SLC6A3 (0.36) | HSD11B1EGFR | |
| SCHEMBL28603340 | 0.81 | HCAR2 (0.38) | MEN1CYP2C9KMT2AHSD11B1MAPK1 | |
| SCHEMBL28581227 | 0.80 | TSHR (0.38) | OPRM1OPRD1OPRK1OPRL1ICMT | |
| SCHEMBL28589492 | 0.80 | TP53 (0.38) | MEN1KMT2AHSD11B1MAPK1SMN1; SMN2 | |
| SCHEMBL28589027 | 0.80 | OPRM1 (0.50) | KMT2AMAPK1OPRM1OPRD1OPRK1 | |
| SCHEMBL28594336 | 0.80 | SLC6A4 (0.42) | — |
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-107721956-B | Benzobutyrolactone derivative, synthesis method and application thereof in preparing bactericide | 西北农林科技大学 | 2021-02-12 | — | — | CN | disclosed |