Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | KLK7 | P49862 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21996539 | 0.86 | P2RX3 (0.44) | P2RX3PTPN1ABCB1NR1H2NR1H3 | |
| SCHEMBL15499687 | 0.85 | ABCB1 (0.42) | P2RX3ABCB1NR1H2NR1H3BACE1 | |
| SCHEMBL475486 | 0.84 | ABCB1 (0.52) | P2RX3ABCB1NR1H2NR1H3UCHL1 | |
| SCHEMBL3854950 | 0.84 | ABCB1 (0.52) | P2RX3ABCB1NR1H2NR1H3UCHL1 | |
| SCHEMBL3191348 | 0.84 | ABCB1 (0.52) | P2RX3ABCB1NR1H2NR1H3UCHL1 | |
| SCHEMBL18093988 | 0.84 | ABCB1 (0.52) | P2RX3ABCB1NR1H2NR1H3UCHL1 | |
| SCHEMBL475487 | 0.84 | ABCB1 (0.52) | P2RX3ABCB1NR1H2NR1H3UCHL1 | |
| SCHEMBL21996445 | 0.83 | ABCB1 (0.43) | ABCB1NR1H2BACE1BACE2GPR119 | |
| SCHEMBL3857592 | 0.82 | P2RX3 (0.48) | P2RX3ABCB1CYP3A4MCL1GPR119 | |
| SCHEMBL3190398 | 0.82 | P2RX3 (0.54) | P2RX3ABCB1NR1H2NR1H3CYP3A4 |
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 3 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 |
| 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 |