Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL20980059 | 1.00 | ATM (0.40) | ATMBRD4PPARGOPRM1OPRD1 | |
| SCHEMBL20988409 | 0.88 | BRD4 (0.42) | ATMBRD4PPARGOPRM1OPRD1 | |
| SCHEMBL20955895 | 0.82 | HTR2A (0.33) | ALDH1A1TSHRMEN1KMT2ANPSR1 | |
| SCHEMBL20955894 | 0.82 | HTR2A (0.33) | ALDH1A1TSHRMEN1KMT2ANPSR1 | |
| SCHEMBL20980077 | 0.79 | MEN1 (0.36) | ATMBRD4PPARGALDH1A1MEN1 | |
| SCHEMBL13923793 | 0.79 | BRD4 (0.41) | BRD4OPRM1OPRD1OPRK1SLC22A1 | |
| SCHEMBL30114947 | 0.72 | BRD4 (0.47) | BRD4OPRM1OPRD1OPRK1SLC22A1 | |
| SCHEMBL261190 | 0.72 | BRD4 (0.47) | BRD4OPRM1OPRD1OPRK1SLC22A1 | |
| SCHEMBL28799391 | 0.70 | BRD4 (0.50) | BRD4OPRM1OPRD1OPRK1SLC22A1 | |
| SCHEMBL30726842 | 0.69 | BRD4 (0.49) | BRD4OPRM1OPRD1OPRK1SLC22A1 |
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-3480190-B1 | METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS | CALIFORNIA INST OF TECHN (US) | 2023-01-04 | — | — | EP | disclosed |