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 | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9675753 | 1.00 | NR1I2 (0.48) | NR1I2LMNAKCNH2CYP2D6HIF1A | |
| Butyltriphenylphosphonium SCHEMBL6928248 | 0.94 | CNR2 (0.45) | NR1I2LMNAKCNH2CYP2D6HIF1A | |
| Sulfuric Acid SCHEMBL21933060 | 0.87 | TRAP1 (0.47) | NR1I2CYP2D6HIF1ATSHRCYP2C19 | |
| SCHEMBL9634534 | 0.87 | HIF1A (0.52) | LMNACYP2D6HIF1ACYP2C9TSHR | |
| SCHEMBL9631619 | 0.86 | NR1I2 (0.40) | NR1I2LMNAKCNH2CYP2D6HIF1A | |
| SCHEMBL34197 | 0.84 | TRAP1 (0.39) | LMNACYP2D6HIF1ACYP2C9TSHR | |
| Bromide SCHEMBL7611775 | 0.84 | HIF1A (0.47) | CYP2D6HIF1ATSHRCYP2C19HTT | |
| SCHEMBL9634528 | 0.82 | NR1I2 (0.40) | NR1I2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2230521 | 0.82 | ALDH1A1 (0.38) | LMNACYP2D6HIF1ACYP2C9TSHR | |
| SCHEMBL6230992 | 0.82 | CYP3A4 (0.46) | LMNACYP2D6CYP2C9CYP2C19HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4496643-A | PHOSPHONIUM, ARSONIUM, OR STIBONIUM COMPOUND IN BINDER AS TONER AND FLUOROCARBON CARRIER COATED PARTICLES | EASTMAN KODAK COMPANY (US) | 1985-01-29 | — | — | US | claimed |
| EP-0315082-B1 | PROCESS FOR INCREASING THE ELECTROSTATIC CHARGEABILITY OF POWDER PAINTS OR POWDERS AND THEIR USE IN THE SURFACE COATING OF SOLID ITEMS | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-05-06 | — | — | EP | disclosed |
| US-5021473-A | With mixture of polymer(s) and catonic compound | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-06-04 | — | — | US | disclosed |
| EP-0315082-A2 | Process for increasing the electrostatic chargeability of powder paints or powders and their use in the surface coating of solid items | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-05-10 | — | — | EP | disclosed |
| EP-0161128-A1 | Two-component dry electrostatic developer composition | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1985-11-13 | — | — | EP | disclosed |