Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 5/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | CCR1 | P32246 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28077873 | 0.89 | DRD2 (0.39) | EPHX2DRD2HSD11B1OPRM1CCR1 | |
| SCHEMBL28831246 | 0.82 | SLC6A4 (0.48) | DRD2OPRM1P2RX7NPC1CYP1A2 | |
| SCHEMBL16565440 | 0.82 | MEN1 (0.47) | EPHX2JAK2JAK1DRD2KMT2A | |
| SCHEMBL28077735 | 0.81 | OPRM1 (0.57) | DRD2OPRM1CCR1 | |
| SCHEMBL16554233 | 0.81 | EPHX2 (0.43) | EPHX2JAK2JAK1DRD2HSD11B1 | |
| SCHEMBL28077739 | 0.81 | DRD2 (0.39) | DRD2HSD11B1OPRM1CCR1CYP3A4 | |
| SCHEMBL28077557 | 0.81 | DRD2 (0.36) | DRD2OPRM1CYP3A4P2RX7NPC1 | |
| SCHEMBL28077613 | 0.80 | DRD2 (0.39) | JAK2JAK1DRD2HSD11B1OPRM1 | |
| SCHEMBL28077553 | 0.79 | DRD2 (0.50) | DRD2P2RX7CNR1 | |
| SCHEMBL28755147 | 0.78 | ALDH1A1 (0.35) | JAK2JAK1HSD11B1NPC1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105745209-A | Triazolopyridine compounds, compositions, and methods of use thereof | 豪夫迈·罗氏有限公司 | 2016-07-06 | — | — | CN | disclosed |