Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 1/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28147063 | 0.85 | FLT3 (0.63) | FLT3GSK3BBCHEABCG2ABCB1 | |
| SCHEMBL28037853 | 0.85 | FLT3 (0.67) | FLT3GSK3BBCHEABCG2ABCB1 | |
| SCHEMBL28415505 | 0.79 | FLT3 (0.56) | FLT3GSK3BBCHEABCG2ABCB1 | |
| SCHEMBL28510543 | 0.79 | FLT3 (0.56) | FLT3GSK3BBCHEABCG2ABCB1 | |
| SCHEMBL28516006 | 0.77 | FLT3 (0.66) | FLT3GSK3BKDRHSP90AA1HSP90AB1 | |
| SCHEMBL31158277 | 0.75 | FLT3 (0.58) | FLT3GSK3BBCHEABCG2ABCB1 | |
| SCHEMBL28319778 | 0.75 | FLT3 (0.67) | FLT3GSK3BBCHEKDRGRM5 | |
| SCHEMBL28653156 | 0.72 | BCHE (0.57) | FLT3GSK3BBCHEABCG2ABCB1 | |
| SCHEMBL29158504 | 0.71 | BCHE (0.51) | FLT3GSK3BBCHEABCG2ABCB1 | |
| SCHEMBL18031113 | 0.70 | ABCG2 (0.54) | BCHEABCG2ABCB1S1PR1MIF |
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 |
|---|---|---|---|---|---|---|---|
| CN-112341444-B | 3- (2, 3-dihydropyrrole) indole compound and preparation method thereof | 常州大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-112341444-A | 3- (2, 3-dihydropyrrole) indole compound and preparation method thereof | 常州大学 | 2021-02-09 | — | — | CN | disclosed |