Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Pentamethonium. 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 | 3/20 | 0.92 |
| ▸ | APEX1 | P27695 | 3/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 4/20 | 0.92 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.92 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.92 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.92 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.92 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.92 |
| ▸ | LMNA | P02545 | 2/20 | 0.92 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.92 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.92 |
| ▸ | TSHR | P16473 | 1/20 | 0.92 |
| ▸ | RAB9A | P51151 | 1/20 | 0.92 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.75 |
| ▸ | APAF1 | O14727 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | RAD52 | P43351 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Decamethonium SCHEMBL323468 | 1.00 | APEX1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| Decamethonium SCHEMBL2830377 | 1.00 | APEX1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| Hydrochloric Acid SCHEMBL6012972 | 1.00 | APEX1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| Hydrochloric Acid SCHEMBL6012951 | 1.00 | APEX1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| Decamethonium SCHEMBL2831663 | 1.00 | APEX1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| Hydrochloric Acid SCHEMBL3679398 | 1.00 | APEX1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| Hexamethonium SCHEMBL22332 | 1.00 | APEX1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| Hexamethonium SCHEMBL1338459 | 0.96 | APEX1 (0.92) | APEX1NPSR1MEN1KMT2AACHE | |
| SCHEMBL6931794 | 0.96 | MEN1 (1.00) | APEX1NPSR1MEN1KMT2AACHE | |
| SCHEMBL17898630 | 0.96 | MEN1 (1.00) | APEX1NPSR1MEN1KMT2AACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686448-A | Treatment of virus infections with ganglionic blocking agents | BALTECH, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1996001050-A1 | PREVENTION AND TREATMENT OF HUMAN HERPESVIRUS-6 INFECTION WITH QUATERNARY AMMONIUM COMPOUNDS AND/OR GANGLIONIC BLOCKING AGENTS | BALTECH, INC. (US) | 1996-01-18 | — | — | WO | disclosed |
| US-4902720-A | Treatment of virus infections with quaternary ammonium compounds | BALTECH, INC., A CORP. OF LA | 1990-02-20 | — | — | US | disclosed |
| US-4898888-A | SUCH AS TETRAETHYLAMMONIUM OR HEXAMETHONIUM ION; HERPES SIMPLEX | BALTECH, INC. | 1990-02-06 | — | — | US | disclosed |