Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11451186 | 0.84 | GBA1 (0.50) | GBA1EPHX2ALDH1A1TDP1HTT | |
| Ammonia Solution, Strong SCHEMBL14359739 | 0.82 | GBA1 (0.48) | GBA1EPHX2ALDH1A1TDP1HTT | |
| SCHEMBL5987408 | 0.82 | — | — | |
| SCHEMBL20518475 | 0.82 | GBA1 (0.39) | GBA1EPHX2ALDH1A1TDP1HTT | |
| SCHEMBL19698902 | 0.81 | EPHX2 (0.40) | GBA1EPHX2ALDH1A1TDP1USP2 | |
| SCHEMBL19705365 | 0.81 | EPHX2 (0.40) | GBA1EPHX2ALDH1A1TDP1USP2 | |
| Ammonia Solution, Strong SCHEMBL4076473 | 0.80 | EPHX2 (0.45) | GBA1EPHX2ALDH1A1TDP1HTT | |
| SCHEMBL28008848 | 0.79 | GBA1 (0.42) | GBA1EPHX2ALDH1A1TDP1HTT | |
| SCHEMBL20518474 | 0.79 | SPHK2 (0.39) | GBA1EPHX2ALDH1A1TDP1HTT | |
| SCHEMBL14318707 | 0.77 | GBA1 (0.44) | GBA1EPHX2ALDH1A1TDP1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110655539-B | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-110655539-A | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2020-01-07 | — | — | CN | disclosed |