Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 9/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28779338 | 0.91 | HCAR2 (0.47) | HCAR2DPP4HCAR3ALDH1A1 | |
| SCHEMBL21393 | 0.88 | HCAR2 (0.37) | HCAR2DPP4HCAR3DPP8DPP9 | |
| SCHEMBL27758480 | 0.77 | HCAR2 (0.36) | HCAR2DPP4HCAR3ALDH1A1 | |
| SCHEMBL27737596 | 0.75 | HCAR2 (0.33) | HCAR2HCAR3 | |
| SCHEMBL19329 | 0.74 | HCAR2 (0.39) | HCAR2DPP4HCAR3DPP8DPP9 | |
| SCHEMBL12985499 | 0.74 | PDE4D (0.38) | HCAR2 | |
| SCHEMBL9218944 | 0.72 | HCAR2 (0.43) | HCAR2DPP4HCAR3DPP8DPP9 | |
| SCHEMBL4879037 | 0.72 | L3MBTL1 (0.33) | — | |
| SCHEMBL7855432 | 0.69 | HCAR2 (0.42) | HCAR2HCAR3ALPLHTTALDH1A1 | |
| SCHEMBL3949940 | 0.68 | HCAR2 (0.45) | HCAR2HCAR3ALPLHTTALDH1A1 |
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-1228043-A1 | ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032626-A1 | ISOQUINOLINE AND QUINAZOLINE DERIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-05-10 | — | — | WO | disclosed |