Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | TSHR | P16473 | 3/20 | 0.74 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.74 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| Benzyl Bromide SCHEMBL27843858 | 0.92 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL28027277 | 0.89 | — | — | |
| Benzyl Bromide SCHEMBL27303092 | 0.87 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL9000955 | 0.86 | TSHR (1.00) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1331189 | 0.86 | — | — | |
| Benzyl Bromide SCHEMBL5964841 | 0.86 | — | — | |
| Benzyl Bromide SCHEMBL5757393 | 0.86 | TSHR (1.00) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1066 | 0.86 | — | — | |
| SCHEMBL20389321 | 0.86 | TSHR (1.00) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL28763610 | 0.83 | ALDH1A1 (0.82) | ALDH1A1TSHRTRPA1CES2CES1 |
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-109761952-A | A kind of resorcinol methyl ether derivative and application thereof containing substituted biphenyl | 南方医科大学 | 2019-05-17 | — | — | CN | disclosed |