Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16029928 | 0.79 | CYP2A6 (0.44) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL3672180 | 0.76 | CYP3A4 (0.35) | HKDC1CYP3A4TSHRPIK3CAALDH1A1 | |
| SCHEMBL3675001 | 0.76 | ALDH1A1 (0.47) | CYP3A4TSHRPIK3CAALDH1A1CYP1A2 | |
| SCHEMBL19729080 | 0.72 | CYP3A4 (0.52) | HKDC1CYP3A4TSHRALDH1A1CYP1A2 | |
| SCHEMBL3674644 | 0.72 | HKDC1 (0.39) | HKDC1ALDH1A1BACE1 | |
| SCHEMBL23409303 | 0.71 | HKDC1 (0.58) | HKDC1CYP3A4TSHRALDH1A1BACE1 | |
| SCHEMBL8197963 | 0.71 | CYP3A4 (0.48) | HKDC1CYP3A4TSHRPIK3CAALDH1A1 | |
| SCHEMBL5605522 | 0.69 | ALDH1A1 (0.50) | HKDC1CYP3A4TSHRALDH1A1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL16600069 | 0.69 | CYP2A6 (0.42) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL31180772 | 0.69 | ACHE (0.39) | CYP3A4TSHRPIK3CAALDH1A1BACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1426392-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-02-24 | — | — | EP | disclosed |
| US-6960640-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20040147708-A1 | Composition for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1426392-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-06-09 | — | — | EP | disclosed |