Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | KLK7 | P49862 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL22324617 | 1.00 | ABCB1 (0.42) | ABCB1KLK7CTSLCTSBCTSK | |
| SCHEMBL21996478 | 0.89 | BACE1 (0.43) | BACE1BACE2TP53 | |
| SCHEMBL22047155 | 0.89 | BACE1 (0.43) | BACE1BACE2TP53 | |
| SCHEMBL3736624 | 0.86 | KLK7 (0.45) | ABCB1KLK7CTSLCTSBCTSK | |
| SCHEMBL22323665 | 0.82 | BACE1 (0.36) | BACE1BACE2GPR119 | |
| SCHEMBL21996510 | 0.82 | BACE1 (0.36) | BACE1BACE2GPR119 | |
| SCHEMBL9938446 | 0.81 | PRMT5 (0.51) | ABCB1KLK7CTSLCTSBCTSK | |
| SCHEMBL14981709 | 0.78 | ALDH1A1 (0.48) | ABCB1CTSLCTSBCTSK | |
| SCHEMBL22323738 | 0.78 | KLK7 (0.46) | KLK7JAK2JAK1STSLMNA | |
| SCHEMBL27579467 | 0.77 | KLK7 (0.46) | ABCB1KLK7JAK2JAK1STS |
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 |