Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 10/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL835012 | 0.82 | MAPT (0.51) | P2RX7DAOMRGPRX4ALDH1A1KCNJ5 | |
| SCHEMBL5415002 | 0.80 | RXRA (0.43) | P2RX7DAOMRGPRX4ALDH1A1KCNJ5 | |
| SCHEMBL14755023 | 0.79 | KCNJ5 (0.47) | ALDH1A1KCNJ5KCNJ3LMNAMAPT | |
| SCHEMBL838070 | 0.79 | RXRA (0.50) | P2RX7DAOMRGPRX4ALDH1A1KCNJ5 | |
| SCHEMBL29718989 | 0.79 | RXRA (0.50) | P2RX7DAOMRGPRX4ALDH1A1KCNJ5 | |
| Trifluoroacetic Acid SCHEMBL5769358 | 0.78 | FFAR1 (0.47) | P2RX7DAOMRGPRX4ALDH1A1KCNJ5 | |
| SCHEMBL31434971 | 0.77 | DAO (0.46) | P2RX7DAOMRGPRX4ALDH1A1KCNJ5 | |
| SCHEMBL3208015 | 0.71 | PDE2A (0.49) | P2RX7DAOMRGPRX4ALDH1A1LMNA | |
| SCHEMBL2669965 | 0.71 | DAO (0.51) | P2RX7DAOMRGPRX4LMNAPDE2A | |
| SCHEMBL30523915 | 0.71 | PDE2A (0.49) | P2RX7DAOMRGPRX4ALDH1A1LMNA |
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 |