Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9840 | 0.84 | — | — | |
| SCHEMBL14127433 | 0.84 | — | — | |
| SCHEMBL29427037 | 0.84 | — | — | |
| SCHEMBL29077748 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL4260010 | 0.82 | — | — | |
| O-Xylene SCHEMBL467845 | 0.82 | CA12 (0.69) | ALDH1A1CA12CA1CA2GLA | |
| Bromide SCHEMBL29030286 | 0.82 | ALDH1A1 (0.94) | ALDH1A1CA1CA2CA4CA9 | |
| Phosphine SCHEMBL9803033 | 0.82 | — | — | |
| SCHEMBL1314410 | 0.82 | — | — | |
| Bromobenzene SCHEMBL594876 | 0.80 | ALDH1A1 (0.79) | ALDH1A1CA1CA2CA9TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109761759-A | A kind of brominated method of high regioselectivity of phenol compound | 信阳师范学院 | 2019-05-17 | — | — | CN | disclosed |