Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3838668 | 0.82 | CA12 (0.44) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL30045190 | 0.78 | PNMT (0.48) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL29976533 | 0.78 | TRPA1 (0.42) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL510419 | 0.78 | FFAR1 (0.46) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL4338450 | 0.78 | PNMT (0.48) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL30426333 | 0.78 | GLA (0.50) | FFAR1GLA | |
| SCHEMBL2795596 | 0.78 | TP53 (0.42) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL19806071 | 0.78 | TRPA1 (0.42) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL20838047 | 0.78 | CA12 (0.41) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL10490628 | 0.78 | GLA (0.35) | FFAR1GLAMEN1KMT2A |
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-2012172093-A1 | DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-12-20 | — | — | WO | disclosed |