Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL78218 | 0.98 | ALDH1A1 (0.41) | ALDH1A1MITFTHRBTHRALIPG | |
| Dimethylamine SCHEMBL8716369 | 0.92 | ALDH1A1 (0.38) | ALDH1A1MITFTHRBTHRALIPG | |
| Diethylamine SCHEMBL8715474 | 0.90 | ALDH1A1 (0.36) | ALDH1A1MITFTHRBTHRALIPG | |
| SCHEMBL29480441 | 0.86 | CYP3A4 (0.44) | ALDH1A1MITFTHRBTHRALIPG | |
| SCHEMBL28869 | 0.86 | CYP3A4 (0.44) | ALDH1A1MITFTHRBTHRALIPG | |
| SCHEMBL595200 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MITFTHRBTSHR | |
| SCHEMBL29377653 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MITFTHRBTSHR | |
| SCHEMBL31099593 | 0.84 | LIPG (0.50) | THRBTHRALIPGCYP3A4CYP2D6 | |
| SCHEMBL714033 | 0.84 | LIPG (0.50) | THRBTHRALIPGCYP3A4CYP2D6 | |
| Benzene SCHEMBL28275266 | 0.84 | CYP3A4 (0.42) | ALDH1A1THRBTHRALIPGCYP3A4 |
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-5326489-A | Sulfonated polymer | NIPPON SHOKUBAI CO., LTD. (JP) | 1994-07-05 | — | — | US | disclosed |
| EP-0523300-B1 | Electrorheological fluids | NIPPON CATALYTIC CHEM IND (JP) | 1994-01-19 | — | — | EP | disclosed |
| EP-0523300-A1 | Electrorheological fluids | NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) | 1993-01-20 | — | — | EP | disclosed |