Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | BRD2 | P25440 | 1/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.40 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
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 SCHEMBL1996889 | 0.99 | MAPT (0.40) | MAPTCNR1BRD4BRD2BRD3 | |
| SCHEMBL4094092 | 0.87 | CNR1 (0.48) | MAPTCNR1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5434498 | 0.84 | MAPT (0.44) | MAPTALDH1A1SMN1; SMN2KDM4EKCNH2 | |
| SCHEMBL5432028 | 0.82 | ALDH1A1 (0.41) | MAPTBRD4ALDH1A1SMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL1989755 | 0.82 | MAPT (0.43) | MAPTALDH1A1SMN1; SMN2KDM4EKCNH2 | |
| SCHEMBL5794101 | 0.78 | ALDH1A1 (0.54) | MAPTALDH1A1SMN1; SMN2DUSP3PTPN5 | |
| Hydrochloric Acid SCHEMBL5432165 | 0.77 | ALDH1A1 (0.53) | MAPTALDH1A1SMN1; SMN2DUSP3PTPN5 | |
| SCHEMBL5793935 | 0.77 | CNR1 (0.44) | MAPTCNR1ALDH1A1SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL4109224 | 0.76 | CNR1 (0.44) | MAPTCNR1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL1993358 | 0.73 | CNR1 (0.43) | MAPTCNR1BRD4BRD2BRD3 |
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 |