Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL5050624 | 0.97 | GAA (0.56) | GAACA1CA2CA12CA3 | |
| SCHEMBL16034285 | 0.97 | GAA (0.62) | GAACA1CA2CA12CA3 | |
| SCHEMBL10663598 | 0.97 | GAA (0.62) | GAACA1CA2CA12CA3 | |
| SCHEMBL10917087 | 0.97 | GAA (0.62) | GAACA1CA2CA12CA3 | |
| SCHEMBL57154 | 0.97 | GAA (0.62) | GAACA1CA2CA12CA3 | |
| Water SCHEMBL27456421 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| Water SCHEMBL8364047 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| Sulfuric Acid SCHEMBL5581690 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| Benzene SCHEMBL29261851 | 0.92 | GAA (0.56) | GAACA1CA2CA12CA3 | |
| SCHEMBL11815250 | 0.92 | GAA (0.62) | GAACA1CA2CA12CA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0295037-B1 | PHENOL DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-08-18 | — | — | EP | disclosed |
| US-5162571-A | Phenol derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-11-10 | — | — | US | disclosed |
| EP-0295037-A2 | Phenol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-12-14 | — | — | EP | disclosed |