Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5769812 | 0.89 | KDM1A (0.40) | KDM1AABCB1CYP2A6KEAP1NFE2L2 | |
| SCHEMBL5435811 | 0.86 | ALDH1A2 (0.40) | KDM1AABCB1ALDH1A2ALDH1A3 | |
| SCHEMBL5765579 | 0.84 | EPHX1 (0.38) | KDM1AABCB1EPHX1CYP2A6KEAP1 | |
| SCHEMBL5770177 | 0.82 | KDM1A (0.36) | KDM1AABCB1CYP2A6KEAP1NFE2L2 | |
| SCHEMBL5768068 | 0.82 | KDM1A (0.36) | KDM1AABCB1CYP2A6KEAP1NFE2L2 | |
| SCHEMBL5768472 | 0.81 | KDM1A (0.36) | KDM1AABCB1UBE2MDCUN1D1ALDH1A2 | |
| SCHEMBL5426588 | 0.80 | ALDH1A2 (0.43) | KDM1AABCB1ALDH1A2ALDH1A3 | |
| SCHEMBL5429211 | 0.77 | ALDH1A2 (0.41) | KDM1AABCB1ALDH1A2ALDH1A3 | |
| SCHEMBL5441947 | 0.76 | ALDH1A2 (0.41) | KDM1AALDH1A2ALDH1A3 | |
| SCHEMBL5432487 | 0.74 | KDM1A (0.43) | KDM1AABCB1CYP2A6ALDH1A2ALDH1A3 |
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 |