Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 13/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4731545 | 1.00 | ALDH1A1 (0.46) | ALDH1A1F2GLAHPGDHPGDS | |
| SCHEMBL4728653 | 0.92 | HPGDS (0.54) | HPGDS | |
| SCHEMBL4729592 | 0.85 | PDGFRB (0.42) | ALDH1A1HPGDSEGFR | |
| SCHEMBL5511161 | 0.82 | MGAM (0.49) | ALDH1A1HPGDS | |
| SCHEMBL6093635 | 0.79 | CNR2 (0.55) | ALDH1A1HPGDTNFRSF1ACYP1B1 | |
| SCHEMBL5505975 | 0.77 | MEN1 (0.58) | ALDH1A1HPGDCYP3A4CYP1A1CYP1A2 | |
| SCHEMBL4730336 | 0.77 | ALDH1A1 (0.36) | ALDH1A1HPGDCYP3A4CYP1A1CYP1A2 | |
| SCHEMBL4730657 | 0.77 | MAPT (0.35) | ALDH1A1HPGD | |
| SCHEMBL5504502 | 0.76 | ABCG2 (0.50) | CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4729401 | 0.76 | MAOA (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008035049-A1 | ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2008-03-27 | — | — | WO | disclosed |