Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.86 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.86 |
| ▸ | TSHR | P16473 | 1/20 | 0.86 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 6/20 | 0.43 |
| ▸ | ACHE | P22303 | 6/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trolox SCHEMBL1927837 | 0.93 | PTGS1 (1.00) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL3226 | 0.93 | PTGS1 (1.00) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL29375939 | 0.93 | PTGS1 (1.00) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| (R)-Trolox SCHEMBL615168 | 0.93 | PTGS1 (1.00) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL29653919 | 0.93 | PTGS1 (1.00) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL1651402 | 0.93 | PTGS1 (1.00) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL4647438 | 0.93 | PTGS1 (1.00) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL17713594 | 0.90 | PTGS1 (0.89) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL7895023 | 0.89 | PTGS1 (0.91) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Trolox SCHEMBL20746198 | 0.85 | PTGS1 (0.84) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0647648-B1 | Optically active phosphorus compounds | HOFFMANN LA ROCHE (CH) | 1999-03-10 | — | — | EP | disclosed |
| EP-0647648-A1 | Optically active phosphorus compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1995-04-12 | — | — | EP | disclosed |