Known targets — ChEMBL curated mechanism
ACHESCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A
The experimentally established mechanism targets of Benzododecinium. 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 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Cetalkonium SCHEMBL8157716 | 1.00 | DNM1 (0.60) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Gluconic Acid SCHEMBL7764370 | 0.95 | DNM1 (0.52) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Gluconic Acid SCHEMBL7763720 | 0.93 | DNM1 (0.51) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Gluconic Acid SCHEMBL7766117 | 0.91 | DNM1 (0.47) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Gluconic Acid SCHEMBL6378781 | 0.85 | LMNA (0.59) | DNM1KMT2AHTTLMNAPSMD14 | |
| Gluconic Acid SCHEMBL8163558 | 0.85 | LMNA (0.59) | DNM1KMT2AHTTLMNAPSMD14 | |
| Gluconic Acid SCHEMBL8155602 | 0.85 | LMNA (0.59) | DNM1KMT2AHTTLMNAPSMD14 | |
| Gluconic Acid SCHEMBL19327501 | 0.85 | LMNA (0.59) | DNM1KMT2AHTTLMNAPSMD14 | |
| Didecyldimethylammonium SCHEMBL997948 | 0.85 | LMNA (0.59) | DNM1KMT2AHTTLMNAPSMD14 | |
| Cadaverine Tartrate SCHEMBL7764538 | 0.84 | DNM1 (0.62) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1114704-B1 | Waterproofing/preservative compositions | LONZA AG (US) | 2005-11-23 | — | — | EP | disclosed |
| EP-1122044-B9 | Use of waterproofer composition for the treatment of wood | LONZA AG (US) | 2005-09-14 | — | — | EP | disclosed |
| EP-1122044-B1 | Use of waterproofer composition for the treatment of wood | LONZA AG (US) | 2005-04-20 | — | — | EP | disclosed |
| EP-0702517-B1 | QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS | LONZA AG (US) | 2004-09-15 | — | — | EP | disclosed |
| EP-1122044-A1 | Waterproofing/preservative compositions | LONZA INC. (US) | 2001-08-08 | — | — | EP | disclosed |
| EP-1121857-A1 | Preparation of quarternary ammonium carbonates | LONZA INC. (US) | 2001-08-08 | — | — | EP | disclosed |
| EP-1114704-A2 | Waterproofing/preservative compositions | LONZA INC. (US) | 2001-07-11 | — | — | EP | disclosed |
| US-6087303-A | METAL-FREE WOOD PRESERVATIVE CONSISTS OF A BIOCIDE CONTAINING DIMETHYL-DI-C8-C12 ALKYLAMMONIUM CARBOXYLATE OR BORATE AND AN AQUEOUS SOLVENT | LONZA, INC. (US) | 2000-07-11 | — | — | US | disclosed |
| US-5891921-A | WOOD PRESERVATIVE SYSTEMS COMPRISING BIOCIDAL EFFECTIVE AMOUNT OF QUATERNARY AMMONIUM CARBOXYLATE, ALKYL QUATERNARY AMMONIUM BORATE, AND SOLVENT | LONZA INC. (US) | 1999-04-06 | — | — | US | disclosed |
| EP-0702517-A4 | QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS | LONZA AG (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5700841-A | WOOD PRESERVATIVES | LONZA INC. (US) | 1997-12-23 | — | — | US | disclosed |
| US-5641726-A | WOOD PRESERVATIVES | LONZA, INC. (US) | 1997-06-24 | — | — | US | disclosed |
| EP-0702517-A1 | QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS | LONZA INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994028715-A1 | QUATERNARY AMMONIUM AND WATERPROOFING/PRESERVATIVE COMPOSITIONS | LONZA INC. (US) | 1994-12-22 | — | — | WO | disclosed |