Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21996496 | 0.87 | GPR119 (0.43) | ABCB1GPR119BACE1BACE2 | |
| SCHEMBL21996640 | 0.84 | ABCB1 (0.48) | ABCB1GPR119BACE1BACE2 | |
| SCHEMBL4325300 | 0.83 | ABCB1 (0.52) | ABCB1GPR119 | |
| SCHEMBL8059684 | 0.80 | CYP1A2 (0.43) | POLBHDAC8NR1D1 | |
| SCHEMBL8064390 | 0.80 | HDAC8 (0.42) | HDAC8NR1D1 | |
| SCHEMBL4292244 | 0.79 | HDAC8 (0.42) | POLBHDAC8NR1D1 | |
| SCHEMBL9067588 | 0.77 | ABCB1 (0.51) | ABCB1GPR119 | |
| SCHEMBL21996502 | 0.77 | ABCB1 (0.51) | ABCB1GPR119 | |
| SCHEMBL22207663 | 0.77 | ABCB1 (0.51) | ABCB1GPR119 | |
| SCHEMBL4314715 | 0.77 | HRH3 (0.48) | GPR119S1PR5MAOB |
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-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 |