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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 5/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP7 | P09237 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9490775 | 0.89 | ACHE (0.42) | CYP2A6ACHE | |
| SCHEMBL9489633 | 0.70 | HTT (0.44) | CYP2A6PTGS2PTGS1PKMMMP1 | |
| SCHEMBL7047125 | 0.68 | CYP2A6 (0.48) | CYP2A6PTGS2PTGS1 | |
| SCHEMBL7044936 | 0.66 | CYP2A6 (0.47) | CYP2A6PTGS2PTGS1 | |
| SCHEMBL11398927 | 0.66 | CYP2A6 (0.47) | CYP2A6PTGS2PTGS1 | |
| SCHEMBL2800194 | 0.66 | CYP2A6 (0.44) | CYP2A6MMP1MMP2MMP3MMP7 | |
| SCHEMBL11541114 | 0.65 | ACHE (0.59) | ACHE | |
| SCHEMBL4625614 | 0.65 | CYP2A6 (0.44) | CYP2A6ACHEPTGS2 | |
| SCHEMBL2029529 | 0.64 | GAA (0.70) | CYP2A6PTGS2PTGS1PKMMMP1 | |
| SCHEMBL9864698 | 0.64 | GAA (0.54) | PTGS2PTGS1PKMMMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5204352-A | 5-Guanylhydrazonylphenyl-2,3-alkyleneimidazol-1-ium and derivatives; Trypanosoma | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1993-04-20 | — | — | US | disclosed |