Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL30898090 | 0.94 | CYP11B2 (0.39) | CYP2D6ALDH1A1GPR119USP2CYP1A2 | |
| SCHEMBL30898219 | 0.93 | CYP2D6 (0.38) | CYP2D6CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL30898045 | 0.92 | SCD5 (0.36) | CYP2D6CYP3A4ALDH1A1CYP2C19HSD17B10 | |
| SCHEMBL30898215 | 0.92 | GPR183 (0.37) | CYP2D6ALDH1A1USP2SMN1; SMN2CYP1A2 | |
| SCHEMBL30898235 | 0.91 | SCD5 (0.38) | CYP2D6CYP3A4ALDH1A1GPR119USP2 | |
| SCHEMBL30898144 | 0.90 | RORC (0.38) | CYP2D6ALDH1A1GPR119USP2SMN1; SMN2 | |
| SCHEMBL30898023 | 0.89 | RORC (0.38) | CYP2D6ALDH1A1USP2SMN1; SMN2CYP1A2 | |
| SCHEMBL30898071 | 0.84 | RORC (0.34) | GPR119USP2SMN1; SMN2EPHX2CYP11B2 | |
| SCHEMBL30898111 | 0.82 | MGLL (0.42) | GPR119USP2SMN1; SMN2NAMPT | |
| SCHEMBL30898043 | 0.82 | GPR183 (0.32) | — |
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-2024083086-A1 | BICYCLIC DERIVATIVE INTEGRIN INHIBITOR | 上海如凌生物医药有限公司 | 2024-04-25 | — | — | WO | disclosed |
| CN-117903171-A | Integrin inhibitors of a class of bicyclic derivatives | 上海如凌生物医药有限公司 | 2024-04-19 | — | — | CN | disclosed |