Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.34 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3968471 | 0.82 | ALDH1A1 (0.37) | POLBBCHEACHESMN1; SMN2KDM4E | |
| SCHEMBL3963608 | 0.79 | GAA (0.37) | POLBBCHEACHECA12CA9 | |
| SCHEMBL5182807 | 0.74 | GLO1 (0.42) | POLBSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL3965944 | 0.73 | CYP1A2 (0.47) | POLBCHRM2CHRM1CHRM3ALDH1A1 | |
| SCHEMBL3968512 | 0.70 | MAPT (0.52) | POLBACHECA12CA9CA2 | |
| SCHEMBL27580691 | 0.69 | ACHE (0.38) | POLBBCHEACHECA12CA9 | |
| SCHEMBL2977480 | 0.69 | HTR2A (0.40) | BCHEACHEHTR1ASLC6A2SLC6A4 | |
| SCHEMBL15545785 | 0.68 | CASP1 (0.35) | POLBKDM4EALDH1A1 | |
| SCHEMBL15041230 | 0.68 | CASP1 (0.31) | — | |
| SCHEMBL3542027 | 0.68 | CHEK1 (0.39) | CA12CA9SLC6A2SLC6A4SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7517367-B2 | Cationic naphthyldiazo dyes and keratin fibers-coloring agents containing these dyes | WELLA AG (DE) | 2009-04-14 | — | — | US | disclosed |
| US-20080167453-A1 | Cationic Naphthyldiazo Dyes and Keratin Fibers-Coloring Agents Containing These Dyes | WELLA AG (DE) | 2008-07-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080167453-A1 | Cationic Naphthyldiazo Dyes and Keratin Fibers-Coloring Agents Containing These Dyes | KRT18, KPNB1, KPNA3 | ACHE 2797/4885CHRM1 3277/4885CHRM3 3413/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.