Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.45 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.43 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5432165 | 0.99 | ALDH1A1 (0.53) | ALDH1A1DUSP3PTPN5PTPN11GRM1 | |
| SCHEMBL5434498 | 0.81 | MAPT (0.44) | ALDH1A1DUSP3PTPN5PTPN11GRM1 | |
| Hydrochloric Acid SCHEMBL1989755 | 0.80 | MAPT (0.43) | ALDH1A1DUSP3PTPN5PTPN11GRM1 | |
| SCHEMBL5796503 | 0.78 | MAPT (0.41) | ALDH1A1DUSP3PTPN5PTPN11MAPT | |
| Hydrochloric Acid SCHEMBL1996889 | 0.77 | MAPT (0.40) | ALDH1A1DUSP3PTPN5PTPN11MAPT | |
| SCHEMBL5793935 | 0.77 | CNR1 (0.44) | ALDH1A1DUSP3PTPN5PTPN11RAB9A | |
| Hydrochloric Acid SCHEMBL4109224 | 0.76 | CNR1 (0.44) | ALDH1A1DUSP3PTPN5PTPN11RAB9A | |
| SCHEMBL4094092 | 0.75 | CNR1 (0.48) | ALDH1A1DUSP3PTPN5PTPN11XDH | |
| SCHEMBL1992198 | 0.72 | ALDH1A1 (0.50) | ALDH1A1LOXL3LOXL2PDE7APDE7B | |
| SCHEMBL1689013 | 0.71 | GRM1 (0.50) | ALDH1A1GRM1RAB9AXDHMAPT |
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-1687306-A1 | BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LTD. (GB) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005049613-A1 | BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LIMITED (GB) | 2005-06-02 | — | — | WO | disclosed |