Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.54 |
| ▸ | MMP2 | P08253 | 3/20 | 0.54 |
| ▸ | MMP13 | P45452 | 3/20 | 0.54 |
| ▸ | MMP14 | P50281 | 3/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | FLT3 | P36888 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20494600 | 1.00 | XDH (0.54) | XDHMMP2MMP13MMP14ABCB1 | |
| SCHEMBL20494636 | 0.89 | FLT3 (0.49) | XDHMMP2MMP13MMP14ABCB1 | |
| SCHEMBL30071440 | 0.89 | FLT3 (0.49) | XDHMMP2MMP13MMP14ABCB1 | |
| SCHEMBL2731044 | 0.88 | KDM4E (0.66) | XDHFLT3KDM4EALDH1A1HPGD | |
| SCHEMBL20494483 | 0.82 | KDM4E (0.76) | ABCB1FLT3KDM4EALDH1A1HPGD | |
| SCHEMBL28208771 | 0.81 | KDM4E (0.55) | MMP2MMP13MMP14ABCB1FLT3 | |
| SCHEMBL14245 | 0.79 | XDH (0.51) | XDHMMP2MMP13MMP14KDM4E | |
| SCHEMBL30220514 | 0.79 | FLT3 (0.60) | XDHFLT3KDM4EALDH1A1HPGD | |
| SCHEMBL926230 | 0.79 | FLT3 (0.60) | XDHFLT3KDM4EALDH1A1HPGD | |
| SCHEMBL217022 | 0.77 | FLT3 (0.67) | XDHFLT3KDM4EALDH1A1HPGD |
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-110770224-B | Indole derivatives as efflux pump inhibitors | 罗格斯新泽西州立大学 | 2022-11-18 | — | — | CN | disclosed |