Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | GBA1 | P04062 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17970864 | 0.93 | GBA1 (0.61) | CA1CA2GBA1ALDH1A1TSHR | |
| SCHEMBL24590667 | 0.86 | CA1 (0.56) | CA1CA2ALDH1A1LMNAEGFR | |
| SCHEMBL14862361 | 0.86 | GBA1 (0.54) | GBA1ALDH1A1TSHREGFRERBB2 | |
| SCHEMBL28910541 | 0.86 | MAPT (0.58) | CA1CA2GBA1ALDH1A1TSHR | |
| SCHEMBL17793673 | 0.84 | CA1 (0.63) | CA1CA2GBA1ALDH1A1TSHR | |
| SCHEMBL17961649 | 0.83 | ALDH1A1 (0.69) | GBA1ALDH1A1TSHREGFRL3MBTL1 | |
| SCHEMBL12478115 | 0.82 | KMT2A (0.57) | CA1CA2GBA1ALDH1A1TSHR | |
| SCHEMBL9778031 | 0.79 | SMN1; SMN2 (0.58) | CA1CA2ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL17974010 | 0.79 | MEN1 (0.53) | GBA1ALDH1A1TSHRLMNAL3MBTL1 | |
| SCHEMBL6321592 | 0.79 | CA1 (0.73) | CA1CA2GBA1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574090-B | Sulfur-containing polysubstituted pyrrole compound and preparation method thereof | 浙大城市学院 | 2022-04-29 | — | — | CN | disclosed |
| CN-112574090-A | Sulfur-containing polysubstituted pyrrole compound and preparation method thereof | 浙大城市学院 | 2021-03-30 | — | — | CN | disclosed |
| CN-112500419-A | Epoxy fused 2-methylene pyrrolidine compound and preparation method thereof | 浙大城市学院 | 2021-03-16 | — | — | CN | disclosed |