Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL139734 | 0.85 | GABRA1 (0.36) | IDO1TDO2CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL27849377 | 0.80 | GABRA1 (0.30) | — | |
| SCHEMBL28330763 | 0.78 | CA1 (0.48) | IDO1TDO2ALDH1A1CYP19A1TSHR | |
| SCHEMBL19003107 | 0.78 | ESR1 (0.48) | ADRB2CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL2702576 | 0.77 | ADRB2 (0.43) | ADRB2ADRB1IDO1TDO2IDO2 | |
| SCHEMBL1765958 | 0.76 | GABRA1 (0.54) | CYP3A4NFKB1CYP1A2HPGDHSD17B10 | |
| SCHEMBL10772792 | 0.76 | ALDH1A1 (0.39) | IDO1TDO2CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL29393805 | 0.76 | NPBWR1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL139764 | 0.76 | NPBWR1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL1352331 | 0.74 | KCNH2 (0.33) | IDO1TDO2NISCHSLC6A4 |
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-1055706-B1 | Smectite clay/organic chemical/polymer compositions useful as nanocomposites | RHEOX INC (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6521690-B1 | Smectite clay/organic chemical/polymer compositions useful as nanocomposites | ELEMENTIS SPECIALTIES, INC. | 2003-02-18 | — | — | US | disclosed |
| EP-1055706-A1 | Smectite clay/organic chemical/polymer compositions useful as nanocomposites | RHEOX, INC. (US) | 2000-11-29 | — | — | EP | disclosed |