Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2470646 | 0.75 | CA2 (0.70) | CA1CA2PTGS1PTGS2CYP1A2 | |
| SCHEMBL29090330 | 0.73 | CA2 (0.59) | CA1CA2PTGS1PTGS2CYP1A2 | |
| SCHEMBL803157 | 0.72 | CA2 (1.00) | CA1CA2PTGS1PTGS2CYP1A2 | |
| SCHEMBL2340718 | 0.69 | CA2 (0.53) | CA1CA2PTGS1PTGS2CYP1A2 | |
| SCHEMBL11868254 | 0.68 | CA2 (0.57) | CA1CA2PTGS1PTGS2CYP1A2 | |
| SCHEMBL10790942 | 0.68 | CA2 (0.52) | CA1CA2PTGS1PTGS2CYP1A2 | |
| SCHEMBL13722510 | 0.67 | PTGS1 (0.73) | CA1CA2PTGS1PTGS2CYP1A2 | |
| SCHEMBL9457150 | 0.67 | SMPD3 (0.58) | CA1CA2PTGS1PTGS2 | |
| SCHEMBL8766812 | 0.67 | PTGS1 (0.58) | CA1CA2PTGS1PTGS2 | |
| SCHEMBL9181713 | 0.66 | CA1 (0.53) | CA1CA2PTGS1PTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2270865-A | — | — | None | — | — | JP | disclosed |
| US-5376670-A | 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1994-12-27 | — | — | US | disclosed |
| US-5256680-A | 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxy-phenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1993-10-26 | — | — | US | disclosed |
| US-5155122-A | Cyclooxygenase, lipoxygenase inhibitors | WARNER-LAMBERT COMPANY (US) | 1992-10-13 | — | — | US | disclosed |
| JP-H02270865-A | 3,5-DI-TERTIARY-BUTYL-4-HYDROXYPHENYL-1,3,4-THIADIAZOLE AND OXADIAZOLE, AND 3,5-DI-TERTIARY-BUTYL-4-HYDROXYPHENYL-1,2,4-THIADIAZOLE, OXADIAZOLE AND TRIAZOLE | WARNER LAMBERT CO | 1990-11-05 | — | — | JP | disclosed |