Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL29097260 | 0.86 | SCN9A (0.42) | SCN9ASMN1; SMN2LMNANCEH1PRNP | |
| SCHEMBL29096854 | 0.86 | PRNP (0.35) | SMN1; SMN2LMNANCEH1PRNPRXFP1 | |
| SCHEMBL29096853 | 0.86 | PRNP (0.35) | SMN1; SMN2LMNANCEH1PRNPRXFP1 | |
| SCHEMBL29096959 | 0.80 | ATM (0.47) | AAK1 | |
| SCHEMBL30639523 | 0.80 | ATM (0.47) | AAK1 | |
| SCHEMBL29828809 | 0.80 | ATM (0.47) | AAK1 | |
| SCHEMBL27032865 | 0.80 | MAPK1 (0.39) | SMN1; SMN2LMNANCEH1PRNPRXFP1 | |
| SCHEMBL27133393 | 0.80 | MAPK1 (0.39) | SMN1; SMN2LMNANCEH1PRNPRXFP1 | |
| SCHEMBL29097043 | 0.79 | SCN9A (0.40) | SCN9AAAK1MAPTCTSLCTSB | |
| SCHEMBL28995694 | 0.75 | SCN9A (0.47) | SCN9AAAK1CTSLCTSBCTSK |
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-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |