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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | HTT | P42858 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL331053 | 0.97 | KCNH2 (0.70) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL330725 | 0.97 | KCNH2 (0.70) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL329839 | 0.95 | KCNH2 (0.67) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| Tetrahexylammonium SCHEMBL1818038 | 0.95 | KCNH2 (0.67) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6913604 | 0.95 | KCNH2 (0.67) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL330553 | 0.95 | KCNH2 (0.67) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9619329 | 0.94 | KCNH2 (0.66) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL331346 | 0.94 | KCNH2 (0.66) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2942432 | 0.90 | LMNA (0.62) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| Tetrabuthylammonium SCHEMBL157620 | 0.90 | LMNA (0.61) | KCNH2LMNACYP2D6CYP2C9CYP2C19 |
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-4867790-A | DELAYED POLYMERIZATION, SULFONIUM INITIATOR | ESPE STIFTUNG & CO. PRODUKTIONS- UND VERTRIEBS KG (DE) | 1989-09-19 | — | — | US | claimed |
| EP-0279238-B1 | DENTAL PREPARATION CONTAINING AN AZIRIDINE COMPOUND | ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) | 1992-01-02 | — | — | EP | disclosed |
| US-4867790-A | DELAYED POLYMERIZATION, SULFONIUM INITIATOR | ESPE STIFTUNG & CO. PRODUKTIONS- UND VERTRIEBS KG (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0279238-A1 | Dental preparation containing an aziridine compound | ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) | 1988-08-24 | — | — | EP | disclosed |