Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14249389 | 0.89 | CYP1A2 (0.35) | CYP1A2ACHESOS1SOS2NPC1 | |
| SCHEMBL14249405 | 0.81 | RAB9A (0.35) | ACHEGAARAB9AALDH1A1 | |
| SCHEMBL18338385 | 0.69 | CYP1A2 (0.44) | CYP1A2GAAALDH1A1 | |
| SCHEMBL1180242 | 0.69 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL14249114 | 0.68 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL11916069 | 0.65 | ACHE (0.37) | ACHESOS1SOS2NPC1GAA | |
| SCHEMBL14249321 | 0.64 | GRM5 (0.43) | CYP1A2 | |
| SCHEMBL14249072 | 0.63 | ACHE (0.36) | ACHESOS1SOS2NPC1GAA | |
| SCHEMBL14248892 | 0.63 | BUB1 (0.33) | MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL27082620 | 0.62 | SIGMAR1 (0.34) | CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012172093-A1 | DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-12-20 | — | — | WO | disclosed |
| WO-2012172093-A1 | DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-12-20 | — | — | WO | disclosed |