Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Benzoquinone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | RECQL | P46063 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.57 |
| ▸ | DHODH | Q02127 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.57 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzoquinone SCHEMBL27819993 | 0.96 | TDP1 (0.61) | TDP1ALDH1A1RECQLBCHEPOLB | |
| Benzoquinone SCHEMBL7915446 | 0.80 | — | — | |
| Benzoquinone SCHEMBL28111438 | 0.80 | ALDH1A1 (0.89) | TDP1ALDH1A1RECQLBCHEPOLB | |
| Benzoquinone SCHEMBL8966070 | 0.76 | TDP1 (0.80) | TDP1ALDH1A1RECQLBCHEPOLB | |
| Benzoquinone SCHEMBL28211057 | 0.76 | TDP1 (0.80) | TDP1ALDH1A1RECQLBCHEPOLB | |
| Benzoquinone SCHEMBL460082 | 0.76 | ALDH1A1 (1.00) | TDP1ALDH1A1RECQLBCHEPOLB | |
| Benzoquinone SCHEMBL3208089 | 0.76 | — | — | |
| Benzoquinone SCHEMBL27792251 | 0.72 | TDP1 (0.73) | TDP1ALDH1A1RECQLBCHEPOLB | |
| Benzoquinone SCHEMBL9457254 | 0.72 | TDP1 (0.73) | TDP1ALDH1A1RECQLBCHEPOLB | |
| Benzoquinone SCHEMBL634841 | 0.71 | — | — |
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-105121418-A | Benzothiazol- 6 -yl acetic acid derivatives and their use for treating an hiv infection | GILEAD SCIENCES INC | 2015-12-02 | — | — | CN | disclosed |