Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1A | O00555 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.39 |
| ▸ | GLRB | P48167 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9134730 | 0.90 | CACNA1A (0.44) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL9135258 | 0.87 | ALOX5 (0.49) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL9134723 | 0.86 | TNFRSF1A (0.43) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL9135762 | 0.85 | CACNA1A (0.41) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL9136823 | 0.82 | TSHR (0.46) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL9135880 | 0.82 | CACNA1A (0.44) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9330111 | 0.81 | CYP1A2 (0.44) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL4880979 | 0.80 | TSHR (0.47) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL9138140 | 0.80 | GAA (0.43) | CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4 | |
| SCHEMBL9133690 | 0.77 | ALDH1A1 (0.45) | CYP1A2TSHRGAAMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5288896-A | 3,5-di-t-butyl-4-hydroxylphenylmethylhydroxylamines and their derivatives, pharmaceutical compositions, and methods of use therefor | WARNER-LAMBERT COMPANY (US) | 1994-02-22 | — | — | US | claimed |
| US-5393923-A | Enzyme inhibitor; treating arthritis and inflammation | WARNER-LAMBERT COMPANY (US) | 1995-02-28 | — | — | US | disclosed |
| US-5288896-A | 3,5-di-t-butyl-4-hydroxylphenylmethylhydroxylamines and their derivatives, pharmaceutical compositions, and methods of use therefor | WARNER-LAMBERT COMPANY (US) | 1994-02-22 | — | — | US | disclosed |