Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 7/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22207663 | 1.00 | ABCB1 (0.51) | ABCB1MCL1P2RX7GPR119NR1H2 | |
| SCHEMBL9067588 | 1.00 | ABCB1 (0.51) | ABCB1MCL1P2RX7GPR119NR1H2 | |
| SCHEMBL21996496 | 0.91 | GPR119 (0.43) | ABCB1MCL1P2RX7GPR119 | |
| SCHEMBL28619216 | 0.88 | BDKRB2 (0.45) | ABCB1BDKRB2 | |
| SCHEMBL21996529 | 0.87 | ABCB1 (0.40) | ABCB1MCL1GPR119NR1H2NR1H3 | |
| SCHEMBL12460552 | 0.87 | HSD11B1 (0.40) | ABCB1MCL1GPR119 | |
| SCHEMBL3248153 | 0.87 | ABCB1 (0.54) | ABCB1MCL1GPR119NR1H2NR1H3 | |
| SCHEMBL29669464 | 0.87 | ABCB1 (0.54) | ABCB1MCL1GPR119NR1H2NR1H3 | |
| SCHEMBL1366652 | 0.85 | CYP2D6 (0.42) | MCL1GPR119 | |
| SCHEMBL1366650 | 0.85 | CYP2D6 (0.42) | MCL1GPR119 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020113077-A9 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-08-13 | — | — | WO | disclosed |
| WO-2020113077-A1 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-06-04 | — | — | WO | disclosed |