Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.55 |
| ▸ | ENTPD5 | O75356 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | SI | P14410 | 4/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL30513267 | 0.84 | AKT1 (0.56) | AKT1ENTPD5ESR1ESR2MAPT | |
| SCHEMBL3184205 | 0.84 | AKT1 (0.56) | AKT1ENTPD5ESR1ESR2MAPT | |
| SCHEMBL7787622 | 0.84 | AKT1 (0.51) | AKT1ENTPD5ESR1ESR2RXRA | |
| SCHEMBL9749407 | 0.79 | AKT1 (0.51) | AKT1ENTPD5ESR1ESR2RXRA | |
| SCHEMBL8653315 | 0.78 | AKT1 (0.50) | AKT1RXRAPTPN1MGAMGAA | |
| SCHEMBL11343263 | 0.78 | AKT1 (0.50) | AKT1ENTPD5ESR1ESR2MAPT | |
| SCHEMBL4475359 | 0.77 | AKT1 (0.49) | AKT1ENTPD5ESR1ESR2CETP | |
| SCHEMBL21346943 | 0.77 | AKT1 (0.46) | AKT1ENTPD5ESR1ESR2RXRA | |
| SCHEMBL4152628 | 0.77 | SIGMAR1 (0.43) | AKT1RXRAPTGS1PTGS2ALDH1A1 | |
| SCHEMBL13005003 | 0.76 | AKT1 (0.48) | AKT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4026907-A | INTERMEDIATES FOR ALPHA-TOCOPHEROL | HOFFMANN-LA ROCHE INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-4018799-A | INTERMEDIATES FOR TOCOPHEROL | HOFFMANN-LA ROCHE INC. (US) | 1977-04-19 | — | — | US | disclosed |
| US-4003919-A | INTERMEDIATES FOR ALPHA-TOCOPHEROL | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |
| US-3947473-A | (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES | HOFFMAN-LA ROCHE INC. (US) | 1976-03-30 | — | — | US | disclosed |