Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29096956 | 0.86 | SCN9A (0.44) | SCN9APRNPNPC1KCNH2NCEH1 | |
| SCHEMBL29096809 | 0.85 | MAPT (0.42) | PRNPNPC1KCNH2POLBIMPDH2 | |
| SCHEMBL29096811 | 0.85 | MAPT (0.42) | PRNPNPC1KCNH2POLBIMPDH2 | |
| SCHEMBL29828762 | 0.80 | CYP3A4 (0.48) | PRNPNPC1KCNH2POLB | |
| SCHEMBL30639635 | 0.80 | CYP3A4 (0.48) | PRNPNPC1KCNH2POLB | |
| SCHEMBL29097261 | 0.80 | CYP3A4 (0.48) | PRNPNPC1KCNH2POLB | |
| SCHEMBL27129786 | 0.78 | PRNP (0.46) | PRNPNPC1KCNH2POLBIMPDH2 | |
| SCHEMBL27032765 | 0.78 | PRNP (0.46) | PRNPNPC1KCNH2POLBIMPDH2 | |
| SCHEMBL29097043 | 0.78 | SCN9A (0.40) | SCN9AKCNH2MAPTCTSLCTSB | |
| SCHEMBL28995694 | 0.76 | SCN9A (0.47) | SCN9ACTSLCTSBCTSK |
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 |