Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5440474 | 0.88 | CCR1 (0.33) | APLNRMEN1KMT2ACTSSCTSK | |
| SCHEMBL5438652 | 0.88 | CTSS (0.39) | APLNRMEN1KMT2ACTSSCTSK | |
| SCHEMBL5431917 | 0.85 | CNR1 (0.39) | ALDH1A2ALDH1A3TDP1TP53 | |
| SCHEMBL5432034 | 0.82 | NPSR1 (0.41) | MEN1KMT2AALDH1A1TP53 | |
| SCHEMBL5434559 | 0.81 | MAOA (0.39) | ALDH1A2ALDH1A3 | |
| SCHEMBL5433744 | 0.80 | CTSS (0.38) | MEN1KMT2ACTSSCTSKALDH1A2 | |
| SCHEMBL5426635 | 0.79 | CYP2C19 (0.43) | ALDH1A2ALDH1A3 | |
| SCHEMBL5431789 | 0.78 | GRM1 (0.36) | MEN1KMT2AALDH1A2ALDH1A3ALDH1A1 | |
| SCHEMBL5431688 | 0.78 | MEN1 (0.33) | APLNRMEN1KMT2ACTSSALDH1A2 | |
| SCHEMBL5796377 | 0.77 | CYP2C19 (0.43) | ALDH1A2ALDH1A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1902201-A | Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | claimed |
| CN-1902201-A | Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | disclosed |