Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.43 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 8/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24739556 | 1.00 | NR1H2 (0.43) | NR1H2NR1H3P2RX3UCHL1MCL1 | |
| SCHEMBL13481242 | 1.00 | NR1H2 (0.43) | NR1H2NR1H3P2RX3UCHL1MCL1 | |
| SCHEMBL3188809 | 1.00 | NR1H2 (0.43) | NR1H2NR1H3P2RX3UCHL1MCL1 | |
| SCHEMBL5152159 | 0.89 | CCNT1 (0.44) | NR1H2NR1H3P2RX3PTPN1CCNT1 | |
| SCHEMBL24739225 | 0.89 | CCNT1 (0.44) | NR1H2NR1H3P2RX3PTPN1CCNT1 | |
| SCHEMBL3264786 | 0.89 | UCHL1 (0.43) | UCHL1MCL1GRIN1GRIN2BHTRA1 | |
| SCHEMBL3264785 | 0.89 | UCHL1 (0.43) | UCHL1MCL1GRIN1GRIN2BHTRA1 | |
| SCHEMBL28719723 | 0.85 | P2RX3 (0.41) | NR1H2NR1H3P2RX3UCHL1MCL1 | |
| SCHEMBL27589062 | 0.85 | P2RX3 (0.44) | NR1H2NR1H3P2RX3UCHL1MCL1 | |
| SCHEMBL8262083 | 0.85 | P2RX3 (0.44) | NR1H2NR1H3P2RX3UCHL1MCL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004039367-A1 | PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT | PFIZER LIMITED (GN) | 2004-05-13 | — | — | WO | disclosed |