Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | F2R | P25116 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL820232 | 0.79 | ALDH1A1 (0.39) | CHRM1TDP1 | |
| SCHEMBL5334077 | 0.77 | CHRM1 (0.39) | CHRM1F2RTDP1CYP1A2CYP2D6 | |
| SCHEMBL27327414 | 0.77 | ALDH1A1 (0.41) | TDP1 | |
| SCHEMBL7081831 | 0.75 | CYP1A2 (0.37) | CHRM1TDP1CYP1A2CYP2D6 | |
| SCHEMBL6261172 | 0.75 | TDP1 (0.31) | CHRM1TDP1 | |
| SCHEMBL9365976 | 0.75 | CHRM1 (0.31) | CHRM1 | |
| SCHEMBL6320277 | 0.74 | MAPT (0.40) | CHRM1TDP1 | |
| SCHEMBL212308 | 0.74 | ALDH1A1 (0.50) | CYP2D6 | |
| SCHEMBL2253089 | 0.74 | ALDH1A1 (0.50) | CYP2D6 | |
| SCHEMBL13980744 | 0.73 | ALDH1A1 (0.33) | CHRM1CYP1A2CYP2D6 |
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-1319645-B1 | Process for the purification of alicyclic alcohols | CELANESE CHEM EUROPE GMBH (DE) | 2005-10-26 | — | — | EP | disclosed |
| EP-1319645-A2 | Process for the purification of alicyclic alcohols | Celanese Chemicals Europe GmbH (DE) | 2003-06-18 | — | — | EP | disclosed |