Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | HK2 | P52789 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | MANBA | O00462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4319795 | 0.79 | LGALS3 (0.46) | TSHRLGALS3HK1HK2CYP1A2 | |
| SCHEMBL27775834 | 0.79 | LGALS3 (0.40) | TSHRLGALS3HK1HK2CYP1A2 | |
| SCHEMBL18863897 | 0.77 | PTGS2 (0.40) | HK1HK2 | |
| SCHEMBL14939237 | 0.77 | PTGS2 (0.40) | HK1HK2 | |
| SCHEMBL3494618 | 0.74 | LGALS3 (0.41) | TSHRLGALS3CYP1A2NFKB1THPO | |
| P-Nitrophenol SCHEMBL344882 | 0.74 | HK1 (0.51) | LGALS3HK1HK2CYP1A2NFKB1 | |
| SCHEMBL1935137 | 0.73 | CYP1A2 (0.41) | TSHRLGALS3HK1HK2CYP1A2 | |
| SCHEMBL10877634 | 0.73 | CYP1A2 (0.41) | TSHRLGALS3HK1HK2CYP1A2 | |
| SCHEMBL10871363 | 0.73 | CYP1A2 (0.41) | TSHRLGALS3HK1HK2CYP1A2 | |
| B-D-Galactose SCHEMBL7519216 | 0.72 | HK1 (0.50) | LGALS3HK1HK2CYP1A2NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0654087-A4 | A FACILE ENZYMATIC SYNTHESIS OF GALACTOSYL-BETA-1,3 GLYCALS. | SCRIPPS RESEARCH INST (US) | 1996-12-18 | — | — | EP | disclosed |
| EP-0654087-A1 | A FACILE ENZYMATIC SYNTHESIS OF GALACTOSYL-BETA-1,3 GLYCALS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994002624-A1 | A FACILE ENZYMATIC SYNTHESIS OF GALACTOSYL-BETA-1,3 GLYCALS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-02-03 | — | — | WO | disclosed |