Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | PSD | A5PKW4 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL5769017 | 0.90 | DAO (0.39) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5768281 | 0.89 | GPR84 (0.39) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5769417 | 0.86 | ALDH1A1 (0.39) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5768787 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5766852 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5766787 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5769419 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5769130 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5769296 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRNPSR1KDM4EPKM | |
| SCHEMBL5769810 | 0.81 | ALDH1A1 (0.40) | ALDH1A1TSHRNPSR1KDM4EPKM |
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 |