Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5769193 | 0.93 | ALDH1A1 (0.37) | DAOALDH1A1KDM4ETSHRNPSR1 | |
| SCHEMBL5767050 | 0.90 | TSHR (0.44) | DAOALDH1A1KDM4ETSHRNPSR1 | |
| SCHEMBL5768343 | 0.90 | ALDH1A1 (0.38) | DAOALDH1A1KDM4ETSHRNPSR1 | |
| SCHEMBL5769177 | 0.83 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRNPSR1MEN1 | |
| SCHEMBL5768875 | 0.83 | ALDH1A1 (0.35) | DAOALDH1A1KDM4ETSHRNPSR1 | |
| SCHEMBL5769542 | 0.82 | MEN1 (0.43) | ALDH1A1KDM4ETSHRNPSR1MEN1 | |
| SCHEMBL5768293 | 0.82 | GPR84 (0.48) | DAOALDH1A1KDM4ETSHRNPSR1 | |
| SCHEMBL5768971 | 0.81 | HPGD (0.55) | TSHRNPSR1MEN1KMT2AL3MBTL1 | |
| SCHEMBL5767021 | 0.81 | GPR84 (0.39) | DAOALDH1A1KDM4ETSHRNPSR1 | |
| SCHEMBL5767645 | 0.81 | AVPR2 (0.39) | DAOGPR84TOP2A |
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 | claimed |
| 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 | claimed |