Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL466085 | 1.00 | CYP2D6 (0.32) | CYP2D6CTDSP1ARG1ALDH1A1TDP1 | |
| SCHEMBL466142 | 1.00 | CYP2D6 (0.32) | CYP2D6CTDSP1ARG1ALDH1A1TDP1 | |
| SCHEMBL466084 | 1.00 | CYP2D6 (0.32) | CYP2D6CTDSP1ARG1ALDH1A1TDP1 | |
| SCHEMBL14199658 | 1.00 | CYP2D6 (0.32) | CYP2D6CTDSP1ARG1ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL907395 | 0.98 | CYP2D6 (0.31) | CYP2D6CTDSP1ARG1 | |
| Hydrochloric Acid SCHEMBL907394 | 0.98 | CYP2D6 (0.31) | CYP2D6CTDSP1ARG1 | |
| SCHEMBL19508493 | 0.94 | CYP1A2 (0.31) | CYP2D6CTDSP1 | |
| SCHEMBL556230 | 0.84 | ARG1 (0.32) | ARG1ALDH1A1TDP1 | |
| SCHEMBL466148 | 0.83 | ARG1 (0.36) | CYP2D6CTDSP1ARG1ALDH1A1 | |
| SCHEMBL466147 | 0.83 | ARG1 (0.36) | CYP2D6CTDSP1ARG1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303477-A2 | 1-AMINO-ALKYLCYCLOHEXANES AS 5-HT3- AND NEURONAL NICOTINICRECEPTOR ANTAGONISTS | MERZ + CO. GmbH & Co. (DE) | 2003-04-23 | — | — | EP | disclosed |
| WO-2001098253-A2 | 1-AMINO-ALKYLCYCLOHEXANES AS 5-HT3 AND NEURONAL NICOTINICRECEPTOR ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2001-12-27 | — | — | WO | disclosed |