Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21996478 | 1.00 | BACE1 (0.43) | BACE1BACE2NAAALIPGCARM1 | |
| SCHEMBL21996514 | 0.89 | ABCB1 (0.42) | BACE1BACE2TP53 | |
| SCHEMBL22324617 | 0.89 | ABCB1 (0.42) | BACE1BACE2TP53 | |
| SCHEMBL21996510 | 0.86 | BACE1 (0.36) | BACE1BACE2LIPGTACR1HDAC1 | |
| SCHEMBL22323665 | 0.86 | BACE1 (0.36) | BACE1BACE2LIPGTACR1HDAC1 | |
| SCHEMBL16434872 | 0.83 | BACE1 (0.49) | BACE1BACE2NAAALIPGCARM1 | |
| SCHEMBL23839391 | 0.79 | LIPG (0.49) | BACE1BACE2LIPGCARM1PRMT6 | |
| SCHEMBL21668749 | 0.79 | LIPG (0.49) | BACE1BACE2LIPGCARM1PRMT6 | |
| SCHEMBL13590834 | 0.78 | GPR119 (0.52) | CARM1PRMT6DDB1CRBNTP53 | |
| SCHEMBL22047122 | 0.76 | HDAC4 (0.40) | BACE1BACE2NAAALIPGCARM1 |
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 |