Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.44 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.44 |
| ▸ | LTK | P29376 | 1/20 | 0.44 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | MST1R | Q04912 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4728861 | 0.92 | HPGDS (0.46) | GRM1ITK | |
| SCHEMBL8212845 | 0.88 | ALDH1A1 (0.42) | ALDH1A1F2GLAHPGDGRM1 | |
| SCHEMBL4729407 | 0.85 | PDGFRB (0.48) | ALDH1A1GRM1MEN1KMT2AP2RX7 | |
| SCHEMBL4728893 | 0.82 | GRM1 (0.51) | ALDH1A1GRM1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4727017 | 0.81 | GRM1 (0.50) | ALDH1A1GRM1NPC1RAB9A | |
| SCHEMBL8215082 | 0.80 | HPGDS (0.42) | — | |
| SCHEMBL4727005 | 0.77 | GRM1 (0.48) | ALDH1A1HPGDGRM1RAB9AMEN1 | |
| SCHEMBL4731779 | 0.77 | GRM1 (0.51) | ALDH1A1HPGDGRM1NPC1RAB9A | |
| SCHEMBL4728032 | 0.76 | GRM1 (0.57) | ALDH1A1GRM1NPC1RAB9AMEN1 | |
| SCHEMBL4731550 | 0.75 | ALDH1A1 (0.47) | ALDH1A1F2GLAHPGDAURKA |
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 |