Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28657466 | 0.85 | CYP2C19 (0.41) | CYP2C19DRD2HTR6MEN1KMT2A | |
| SCHEMBL28639441 | 0.81 | RAPGEF4 (0.33) | — | |
| SCHEMBL20443037 | 0.72 | — | — | |
| SCHEMBL28802488 | 0.71 | CYP2C19 (0.36) | CYP2C19ALDH1A1 | |
| SCHEMBL23403834 | 0.69 | PDE4A (0.35) | CYP2C19ALDH1A1MAPTNPSR1 | |
| SCHEMBL28852707 | 0.69 | HTR6 (0.36) | CYP2C19HTR6TSHRALDH1A1HPGD | |
| SCHEMBL29414040 | 0.69 | HTR6 (0.36) | CYP2C19HTR6TSHRALDH1A1HPGD | |
| SCHEMBL28333115 | 0.68 | DGAT1 (0.33) | CYP2C19ALDH1A1 | |
| SCHEMBL28333074 | 0.68 | ALDH1A1 (0.38) | CYP2C19KMT2AHSD17B10TSHRALDH1A1 | |
| SCHEMBL28657465 | 0.66 | RAPGEF4 (0.37) | CYP2C19ALDH1A1MAPTNPSR1 |
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-110198941-B | Pyrrolopyridine N-oxide derivative and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-09-28 | — | — | CN | disclosed |