Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | PSEN1 | P49768 | 10/20 | 0.61 |
| ▸ | TTPA | P49638 | 3/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11705224 | 1.00 | PTGS1 (0.66) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059457 | 1.00 | PTGS1 (0.66) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL11702891 | 0.99 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059255 | 0.88 | TTPA (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8544235 | 0.88 | TTPA (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8333828 | 0.88 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL11707766 | 0.88 | TTPA (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL11706439 | 0.88 | TTPA (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL1286095 | 0.86 | PTGS1 (0.69) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8994749 | 0.86 | PTGS1 (0.69) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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 |