Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cyclandelate. 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 | 5/20 | 0.70 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Cyclandelate SCHEMBL5123 | 0.84 | LMNA (1.00) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| Cyclandelate SCHEMBL8060819 | 0.84 | LMNA (1.00) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| Cyclandelate SCHEMBL547043 | 0.84 | LMNA (1.00) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| Cyclandelate SCHEMBL9705893 | 0.82 | LMNA (0.74) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| Phenoxybenzamine SCHEMBL28086611 | 0.69 | LMNA (0.60) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| Micinicate SCHEMBL2732821 | 0.66 | LMNA (0.58) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| Eucatropine SCHEMBL132347 | 0.66 | CYP2D6 (1.00) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| SCHEMBL13894203 | 0.65 | LMNA (0.71) | LMNANR1I2ABCB11CYP2C9CYP3A4 | |
| Eucatropine SCHEMBL636552 | 0.65 | LMNA (1.00) | LMNANR1I2ABCB11CYP2D6CYP2C9 | |
| SCHEMBL6908933 | 0.65 | ALDH1A1 (0.84) | LMNANR1I2ABCB11CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0214501-B1 | EMULSION COMPOSITIONS FOR ADMINISTRATION OF SPARINGLY WATER SOLUBLE IONIZABLE BASIC HYDROPHOBIC DRUGS | AMERICAN CYANAMID COMPANY (US) | 1992-09-23 | — | — | EP | disclosed |
| EP-0215313-B1 | EMULSION COMPOSITIONS FOR THE PARENTERAL AND/OR ORAL ADMINISTRATION OF SPARINGLY WATER SOLUBLE IONIZABLE HYDROPHOBIC DRUGS | AMERICAN CYANAMID COMPANY (US) | 1992-07-29 | — | — | EP | disclosed |
| US-4816247-A | FOR INJECTIONS | AMERICAN CYANAMID COMPANY (US) | 1989-03-28 | — | — | US | disclosed |
| US-4784845-A | FAT EMULSIONS WITH BENZYL ALCOHOL FOR DRUGS | AMERICAN CYANAMID COMPANY (US) | 1988-11-15 | — | — | US | disclosed |
| EP-0214501-A2 | Emulsion compositions for administration of sparingly water soluble ionizable basic hydrophobic drugs | AMERICAN CYANAMID COMPANY (US) | 1987-03-18 | — | — | EP | disclosed |