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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | G6PD | P11413 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23754813 | 0.92 | LMNA (0.58) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Tetrylammonium SCHEMBL160282 | 0.86 | LMNA (0.53) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Tetramethylammonium Ion SCHEMBL216795 | 0.85 | GAA (0.56) | LMNACYP2D6CYP3A4MAPK1THPO | |
| SCHEMBL3970446 | 0.85 | CYP2D6 (0.47) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Tetrylammonium SCHEMBL3637947 | 0.85 | LMNA (0.52) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Tetrylammonium SCHEMBL9476357 | 0.84 | LMNA (0.51) | LMNACYP2D6CYP3A4MAPK1THPO | |
| SCHEMBL8505194 | 0.82 | ALDH1A1 (0.46) | LMNACYP2D6CYP3A4MAPK1GAA | |
| Tributylmethylammonium SCHEMBL3189539 | 0.82 | LMNA (0.50) | LMNACYP2D6CYP3A4MAPK1THPO | |
| SCHEMBL11656541 | 0.81 | CA1 (0.54) | LMNACYP2D6CYP3A4MAPK1THPO | |
| SCHEMBL8617002 | 0.80 | GAA (0.62) | LMNACYP2D6CYP3A4MAPK1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5868943-A | Waste treatment process for the disposal of dichlorodifluoromethane by conversion into polytetrafluoroethylene | DONNELLY JR JOSEPH L (US) | 1999-02-09 | — | — | US | disclosed |
| US-4194046-A | ELECTROLYSIS, AMMONIA | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-03-18 | — | — | US | disclosed |
| US-3966720-A | Process for producing desacetoxy cephalosporanic acid compound | NIKKEN CHEMICALS CO., LTD. (JA) | 1976-06-29 | — | — | US | disclosed |