Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22323665 | 1.00 | BACE1 (0.36) | BACE1BACE2USP30DPP4MAOB | |
| SCHEMBL22047155 | 0.86 | BACE1 (0.43) | BACE1BACE2TACR1LIPGHDAC1 | |
| SCHEMBL21996478 | 0.86 | BACE1 (0.43) | BACE1BACE2TACR1LIPGHDAC1 | |
| SCHEMBL22324617 | 0.82 | ABCB1 (0.42) | BACE1BACE2GPR119 | |
| SCHEMBL21996514 | 0.82 | ABCB1 (0.42) | BACE1BACE2GPR119 | |
| SCHEMBL21996445 | 0.76 | ABCB1 (0.43) | BACE1BACE2DPP4MAOBGPR119 | |
| SCHEMBL22047120 | 0.76 | BACE1 (0.34) | BACE1BACE2USP30DPP4MAOB | |
| SCHEMBL22047547 | 0.76 | DRD4 (0.35) | BACE1BACE2USP30DPP4MAOB | |
| SCHEMBL21996491 | 0.76 | DRD4 (0.35) | BACE1BACE2USP30DPP4MAOB | |
| SCHEMBL21996612 | 0.75 | USP30 (0.34) | BACE1BACE2USP30DPP4MAOB |
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-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 |