Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 3/20 | 0.37 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29136326 | 0.86 | DHFR (0.34) | DHFRDCPSXDHGRM5CYP2D6 | |
| SCHEMBL29136313 | 0.83 | GRM5 (0.41) | XDHGRM5SLC6A2SLC6A4HTR3A | |
| SCHEMBL20424133 | 0.79 | LMNA (0.42) | GRM5CYP2D6P2RX3P2RX2ACACB | |
| SCHEMBL3103772 | 0.76 | CHRNB2 (0.52) | CYP2D6CYP11B2 | |
| SCHEMBL18481622 | 0.76 | LMNA (0.45) | GRM5CYP2D6SLC6A2P2RX3P2RX2 | |
| SCHEMBL20870755 | 0.76 | TSHR (0.45) | XDHACACB | |
| SCHEMBL13096931 | 0.76 | CYP2D6 (0.39) | XDHATXN2CYP2D6CYP11B2P2RX3 | |
| SCHEMBL18471240 | 0.75 | CYP2D6 (0.44) | GRM5CYP2D6P2RX3P2RX2ACACB | |
| SCHEMBL16031257 | 0.74 | CYP2D6 (0.46) | DHFRDCPSCYP2D6SLC2A1 | |
| SCHEMBL29136297 | 0.74 | GRM5 (0.40) | DHFRGRM5 |
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-117343056-A | Pyridopyrrole derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-01-05 | — | — | CN | disclosed |