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 | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL457558 | 0.90 | POLB (0.46) | PTGS1CYTH2KMT2AALDH1A1GAA | |
| Sulfuric Acid SCHEMBL457707 | 0.84 | PTGS1 (0.43) | PTGS1KMT2AALDH1A1LMNAHSD17B10 | |
| SCHEMBL457070 | 0.83 | PTGS1 (0.49) | PTGS1CYTH2KMT2AALDH1A1LMNA | |
| SCHEMBL31307331 | 0.79 | CA12 (0.39) | KMT2AALDH1A1LMNATSHRHSD17B10 | |
| SCHEMBL458456 | 0.79 | CA12 (0.39) | KMT2AALDH1A1LMNATSHRHSD17B10 | |
| Acetic Acid SCHEMBL457559 | 0.78 | CA12 (0.39) | PTGS1KMT2AALDH1A1TSHRGAA | |
| Hydrochloric Acid SCHEMBL454032 | 0.77 | CA12 (0.38) | KMT2AALDH1A1LMNATSHRHSD17B10 | |
| Bromide SCHEMBL454874 | 0.77 | CA12 (0.38) | KMT2AALDH1A1LMNATSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL31307333 | 0.74 | ACHE (0.39) | ALDH1A1LMNATP53HSD17B10GAA | |
| SCHEMBL1254755 | 0.73 | GAA (0.43) | ALDH1A1LMNAMAPK1GAAGFER |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031796-A2 | AGENTS FOR COLOURING KERATINIC FIBRES WITH CATIONIC DERIVATIVES OF 1-(2,5-DIHYDROXYPHENYL)PYRIDINIUM | HENKEL AG & CO. KGAA (DE) | 2012-03-15 | — | — | WO | disclosed |