Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL867201 | 1.00 | CYP3A4 (0.52) | CYP3A4TRPA1ALDH1A1MAPTGAA | |
| SCHEMBL7787561 | 0.81 | KMT2A (0.44) | CYP3A4TRPA1ALDH1A1MAPTGAA | |
| SCHEMBL7787560 | 0.81 | KMT2A (0.44) | CYP3A4TRPA1ALDH1A1MAPTGAA | |
| SCHEMBL10514797 | 0.79 | MAPT (0.40) | ALDH1A1MAPTGAATP53TSHR | |
| SCHEMBL5725150 | 0.79 | ALDH1A1 (0.51) | CYP3A4ALDH1A1MAPTGAATP53 | |
| SCHEMBL14180515 | 0.77 | TDP1 (0.48) | CYP3A4ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL29395383 | 0.77 | CYP3A4 (0.64) | CYP3A4TRPA1ALDH1A1MAPTGAA | |
| SCHEMBL15431 | 0.77 | CYP3A4 (0.64) | CYP3A4TRPA1ALDH1A1MAPTGAA | |
| SCHEMBL27558099 | 0.76 | CYP3A4 (0.44) | CYP3A4TRPA1ALDH1A1MAPTKDM4E | |
| SCHEMBL30882155 | 0.76 | MAPT (0.45) | ALDH1A1MAPTGAATP53TSHR |
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-111285853-B | Polycyclic compound | 江苏裕事达新材料科技有限责任公司 | 2023-07-28 | — | — | CN | disclosed |