Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | KLK7 | P49862 | 2/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL24622152 | 1.00 | ABCB1 (0.41) | ABCB1KLK7STSCHRM3CTSL | |
| SCHEMBL24622151 | 0.89 | BACE1 (0.39) | BACE1BACE2DDB1CRBN | |
| SCHEMBL21996313 | 0.89 | BACE1 (0.39) | BACE1BACE2DDB1CRBN | |
| SCHEMBL22047128 | 0.86 | ABCB1 (0.41) | ABCB1KLK7STSCHRM3CTSL | |
| SCHEMBL5151803 | 0.86 | ABCB1 (0.41) | ABCB1KLK7STSCHRM3CTSL | |
| SCHEMBL21996534 | 0.85 | ABCB1 (0.41) | ABCB1KLK7STSCHRM3CTSL | |
| SCHEMBL23043429 | 0.85 | ABCB1 (0.41) | ABCB1KLK7STSCHRM3CTSL | |
| SCHEMBL704571 | 0.85 | ABCB1 (0.41) | ABCB1KLK7STSCHRM3CTSL | |
| SCHEMBL27223224 | 0.85 | ABCB1 (0.41) | ABCB1KLK7STSCHRM3CTSL | |
| SCHEMBL24622085 | 0.83 | BACE1 (0.36) | BACE1BACE2DDB1CRBN |
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 |