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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2028268 | 0.84 | ALDH1A1 (0.39) | CYP2A6SMN1; SMN2KDM4EMEN1ALDH1A1 | |
| SCHEMBL3005218 | 0.76 | HTT (0.53) | HTTTERTSMN1; SMN2LMNAMEN1 | |
| SCHEMBL7047125 | 0.74 | CYP2A6 (0.48) | HTTCYP2A6TERTSMN1; SMN2LMNA | |
| SCHEMBL7044936 | 0.72 | CYP2A6 (0.47) | HTTCYP2A6TERTSMN1; SMN2LMNA | |
| SCHEMBL11398927 | 0.72 | CYP2A6 (0.47) | HTTCYP2A6TERTSMN1; SMN2LMNA | |
| SCHEMBL9489278 | 0.70 | CYP2A6 (0.38) | CYP2A6PTGS2PTGS1PKMMMP1 | |
| SCHEMBL11384770 | 0.69 | RAB9A (0.51) | HTTCYP2A6SMN1; SMN2LMNAPTGS2 | |
| SCHEMBL7045635 | 0.69 | RAB9A (0.51) | HTTCYP2A6SMN1; SMN2LMNAPTGS2 | |
| SCHEMBL4625614 | 0.68 | CYP2A6 (0.44) | HTTCYP2A6TERTSMN1; SMN2LMNA | |
| SCHEMBL9777588 | 0.67 | CYP2A6 (0.43) | HTTCYP2A6SMN1; SMN2LMNAPTGS2 |
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 |