Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 3/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | CA5A | P35218 | 2/20 | 0.60 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.60 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13453289 | 0.89 | FLT3 (0.81) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL26915299 | 0.82 | P2RY14 (0.61) | PTGS2S1PR1NR1H4 | |
| SCHEMBL28516608 | 0.81 | FLT3 (0.69) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL18737325 | 0.81 | FLT3 (0.69) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL18031103 | 0.81 | FLT3 (0.69) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL12420373 | 0.81 | FLT3 (0.69) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL12522541 | 0.81 | FLT3 (0.73) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL12392693 | 0.79 | PTGS2 (0.59) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL12573171 | 0.79 | FLT3 (0.66) | FLT3PTGS2PTGS1CA1CA2 | |
| SCHEMBL28148254 | 0.79 | PTGS2 (0.69) | FLT3PTGS2PTGS1CA1CA2 |
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 |