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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9814357 | 0.72 | KCNH2 (0.41) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL9814361 | 0.72 | KCNH2 (0.41) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL27994253 | 0.71 | KCNH2 (0.58) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL28874158 | 0.70 | MCHR1 (0.53) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL27418809 | 0.69 | CYP2C9 (0.48) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL15570886 | 0.68 | LMNA (0.50) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL329839 | 0.68 | KCNH2 (0.67) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| Tetrahexylammonium SCHEMBL1818038 | 0.68 | KCNH2 (0.67) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL330553 | 0.68 | KCNH2 (0.67) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL6913604 | 0.68 | KCNH2 (0.67) | KCNH2HTTLMNACYP2D6CYP2C9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0442965-A1 | TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES | PPG INDUSTRIES, INC. (US) | 1991-08-28 | — | — | EP | claimed |
| US-5011937-A | Internal and external antistatic agents for fibers | PPG INDUSTRIES, INC. (US) | 1991-04-30 | — | — | US | claimed |
| WO-1990005724-A1 | TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES | PPG INDUSTRIES, INC. (US) | 1990-05-31 | — | — | WO | claimed |
| EP-0442965-A1 | TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES | PPG INDUSTRIES, INC. (US) | 1991-08-28 | — | — | EP | disclosed |
| US-5011937-A | Internal and external antistatic agents for fibers | PPG INDUSTRIES, INC. (US) | 1991-04-30 | — | — | US | disclosed |
| US-4973616-A | ANTISTATIC AGENTS FOR SYNTHETIC FIBERS AND PLASTICS | PPG INDUSTRIES, INC. (US) | 1990-11-27 | — | — | US | disclosed |
| WO-1990005724-A1 | TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES | PPG INDUSTRIES, INC. (US) | 1990-05-31 | — | — | WO | disclosed |