Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.36 |
| ▸ | PIM1 | P11309 | 4/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BCL6 | P41182 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20744082 | 1.00 | NPC1 (0.39) | NPC1DGAT1PIM1NTRK1ACVR1 | |
| SCHEMBL2240537 | 0.91 | DGAT1 (0.38) | NPC1DGAT1MAPTCFDKLKB1 | |
| SCHEMBL16051210 | 0.87 | DGAT1 (0.38) | NPC1DGAT1 | |
| SCHEMBL21678636 | 0.86 | DGAT1 (0.38) | DGAT1MAPTKLKB1P2RX7ADK | |
| SCHEMBL31070086 | 0.86 | DGAT1 (0.38) | DGAT1MAPTKLKB1P2RX7ADK | |
| SCHEMBL21678363 | 0.85 | DGAT1 (0.33) | DGAT1MAPTFLT4KDRCFD | |
| SCHEMBL21678521 | 0.84 | TP53 (0.38) | DGAT1MAPTKLKB1P2RX7 | |
| SCHEMBL31070094 | 0.84 | TP53 (0.38) | DGAT1MAPTKLKB1P2RX7 | |
| SCHEMBL25239242 | 0.83 | DGAT1 (0.40) | NPC1DGAT1MAPT | |
| SCHEMBL21678682 | 0.83 | DGAT1 (0.40) | NPC1DGAT1MAPT |
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-111278840-B | Pyrrolo [2,3-B ] pyridine compounds and their use for the treatment of cancer | 癌症研究科技有限公司 | 2023-11-17 | — | — | CN | disclosed |