Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 6/20 | 0.41 |
| ▸ | ACHE | P22303 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | TTPA | P49638 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29066385 | 0.86 | PTGS2 (0.39) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL29066397 | 0.86 | PTGS2 (0.39) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL29066379 | 0.86 | PTGS2 (0.39) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL29066376 | 0.80 | CYP19A1 (0.36) | CYP3A4TSHRMAPTLMNAALOX5 | |
| SCHEMBL11705977 | 0.80 | PTGS1 (0.52) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9313974 | 0.73 | CYP3A4 (0.49) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7327753 | 0.73 | CYP3A4 (0.57) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL29066396 | 0.73 | PTGS2 (0.34) | PTGS2CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL29066377 | 0.73 | PTGS2 (0.34) | PTGS2CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL29066413 | 0.73 | PTGS2 (0.34) | PTGS2CYP3A4MAPTMEN1KMT2A |
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 |