Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | RRM1 | P23921 | 1/20 | 0.41 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.39 |
| ▸ | F11 | P03951 | 6/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18797533 | 1.00 | CHRM1 (0.41) | CHRM1CHRM2RRM1RRM2BSCN9A | |
| SCHEMBL18797473 | 0.73 | FPR2 (0.43) | CHRM1CHRM2RRM1RRM2BSCN9A | |
| SCHEMBL16983106 | 0.72 | FPR2 (0.40) | CHRM1CHRM2RRM1RRM2BSCN9A | |
| SCHEMBL20360209 | 0.72 | FPR2 (0.40) | CHRM1CHRM2RRM1RRM2BSCN9A | |
| SCHEMBL30702150 | 0.72 | FPR2 (0.40) | CHRM1CHRM2RRM1RRM2BSCN9A | |
| SCHEMBL31132006 | 0.71 | PIK3CD (0.35) | PDE3BPDE3ACREBBP | |
| SCHEMBL17661863 | 0.70 | PDE3B (0.42) | CHRM1CHRM2RRM1RRM2BSCN9A | |
| SCHEMBL31131553 | 0.70 | SYK (0.53) | SCN9A | |
| SCHEMBL8500197 | 0.68 | EPAS1 (0.40) | CHRM1DRD2DRD4DRD3PDE4A | |
| SCHEMBL24428326 | 0.68 | RET (0.47) | SCN9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3368036-B1 | MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2022-07-20 | — | — | EP | disclosed |