Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 8/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21996640 | 0.86 | ABCB1 (0.48) | ABCB1SRCBACE1BACE2GPR119 | |
| SCHEMBL15499685 | 0.84 | ABCB1 (0.47) | ABCB1SRCBACE1BACE2BDKRB2 | |
| SCHEMBL7327353 | 0.83 | ABCB1 (0.58) | ABCB1SRCMEN1KMT2ANR1H2 | |
| SCHEMBL71548 | 0.83 | ABCB1 (0.58) | ABCB1SRCMEN1KMT2ANR1H2 | |
| SCHEMBL3855580 | 0.83 | ABCB1 (0.58) | ABCB1SRCMEN1KMT2ANR1H2 | |
| SCHEMBL30421047 | 0.83 | ABCB1 (0.58) | ABCB1SRCMEN1KMT2ANR1H2 | |
| SCHEMBL28995867 | 0.83 | ABCB1 (0.58) | ABCB1SRCMEN1KMT2ANR1H2 | |
| SCHEMBL475540 | 0.83 | ABCB1 (0.58) | ABCB1SRCMEN1KMT2ANR1H2 | |
| SCHEMBL21996596 | 0.83 | P2RX3 (0.42) | ABCB1NR1H2BACE1BACE2GPR119 | |
| SCHEMBL21996529 | 0.82 | ABCB1 (0.40) | ABCB1MEN1KMT2ANR1H2GPR119 |
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 |