Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | TOP1 | P11387 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23950289 | 0.89 | ADORA1 (0.40) | GRM2ADORA2AADORA1CYP2E1CYP2A6 | |
| SCHEMBL23950293 | 0.88 | PTGS2 (0.42) | GRM2PIM1PTGS1PTGS2ADORA2A | |
| SCHEMBL23950265 | 0.87 | EGLN1 (0.39) | GRM2PIM1PTGS1PTGS2TOP1 | |
| SCHEMBL23950531 | 0.85 | PIM1 (0.41) | PIM1PTGS1PTGS2TOP1SMN1; SMN2 | |
| SCHEMBL23390502 | 0.85 | SMN1; SMN2 (0.38) | GRM2PIM1PTGS1PTGS2ADORA2A | |
| SCHEMBL23951143 | 0.83 | SYK (0.45) | PIM1 | |
| SCHEMBL30102064 | 0.83 | PIM1 (0.37) | GRM2PIM1PTGS1PTGS2ADORA2A | |
| SCHEMBL23951123 | 0.83 | PIM1 (0.37) | GRM2PIM1PTGS1PTGS2ADORA2A | |
| SCHEMBL23950264 | 0.82 | EGLN1 (0.38) | GRM2PIM1PTGS1PTGS2ADORA2A | |
| SCHEMBL23950768 | 0.82 | EGLN1 (0.38) | GRM2PIM1PTGS1PTGS2ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021210970-A1 | PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS | DONG-A ST CO., LTD. (KR) | 2021-10-21 | — | — | WO | disclosed |