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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.36 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12844852 | 0.86 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B | |
| SCHEMBL3967819 | 0.80 | RAB9A (0.59) | CYP2C19ALDH1A1TDP1LMNARECQL | |
| Bromide SCHEMBL2073135 | 0.77 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B | |
| SCHEMBL3973363 | 0.75 | LMNA (0.40) | CYP2C19ALDH1A1LMNACHRNA7POLB | |
| SCHEMBL3968319 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B | |
| SCHEMBL3966313 | 0.73 | POLB (0.35) | ALDH1A1CHRM2CHRM1CHRM3POLB | |
| SCHEMBL15016415 | 0.73 | MAPT (0.40) | ALDH1A1TDP1LMNARECQLMEN1 | |
| SCHEMBL3969300 | 0.72 | CTDSP1 (0.45) | CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B | |
| SCHEMBL9294258 | 0.71 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B | |
| SCHEMBL17197393 | 0.70 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937289-A4 | COMPOSITIONS AND METHODS COMPRISING PANAX SPECIES | HERBALSCIENCE SINGAPORE PTE LTD (US) | 2009-07-29 | — | — | EP | claimed |
| EP-1937289-A2 | COMPOSITIONS AND METHODS COMPRISING PANAX SPECIES | Herbalscience Singapore Pte. Ltd. (US) | 2008-07-02 | — | — | EP | claimed |
| WO-2007035723-A2 | COMPOSITIONS AND METHODS COMPRISING PANAX SPECIES | HERBALSCIENCE SINGAPORE PTE. LTD. (US) | 2007-03-29 | — | — | WO | claimed |
| 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 | CHRM1 3277/4885CHRM3 3413/4885CYP1A2 3353/4885 |
“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.