Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Azepane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL9857707 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA | |
| Piperidine SCHEMBL5874248 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA | |
| Piperidine SCHEMBL1242732 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA | |
| Pyrrolidine SCHEMBL28409763 | 0.97 | ALDH1A1 (0.50) | ALDH1A1CXCR4SMN1; SMN2FDPS | |
| Piperidine SCHEMBL5874242 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA | |
| Pyrrolidine SCHEMBL23354581 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA | |
| Pyrrolidine SCHEMBL29601650 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA | |
| Pyrrolidine SCHEMBL28575035 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA | |
| Phosphoric Acid SCHEMBL28853896 | 0.87 | — | — | |
| Piperidine SCHEMBL6064824 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2CA2CHKA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214320-B1 | A SOURCE OF AN AZACYCLOALKANE-2,2-DIPHOSPHONATE ANION AS ANTICALCULUS AGENT, 5-CHLORO-2-(2,4-DICHLOROPHENOXY) PHENOL; AND AN ORAL CARRIER; APPLYING TO PREVENT TARTAR AND PLAQUE BUILD-UP | COLGATE-PALMOLIVE COMPANY | 2001-04-10 | — | — | US | disclosed |