Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 7/20 | 0.41 |
| ▸ | CTSS | P25774 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4087018 | 1.00 | NFKB1 (0.43) | NFKB1NFKB2RELACTSLCTSK | |
| SCHEMBL24324161 | 1.00 | NFKB1 (0.43) | NFKB1NFKB2RELACTSLCTSK | |
| SCHEMBL8230099 | 0.97 | CTSL (0.42) | NFKB1NFKB2RELACTSLCTSK | |
| SCHEMBL5327858 | 0.97 | CTSL (0.42) | NFKB1NFKB2RELACTSLCTSK | |
| SCHEMBL18762505 | 0.94 | CTSL (0.42) | NFKB1NFKB2RELACTSLCTSK | |
| SCHEMBL13087991 | 0.94 | CTSL (0.44) | NFKB1NFKB2RELACTSLCTSK | |
| SCHEMBL2364175 | 0.88 | CTSK (0.43) | CTSLCTSKCTSSCA1CA2 | |
| SCHEMBL2364176 | 0.88 | CTSK (0.43) | CTSLCTSKCTSSCA1CA2 | |
| SCHEMBL29059461 | 0.88 | CTSK (0.43) | CTSLCTSKCTSSCA1CA2 | |
| SCHEMBL30588815 | 0.86 | CTSK (0.42) | NFKB1NFKB2RELACTSLCTSK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| CN-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2007006714-A1 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2007-01-18 | — | — | WO | disclosed |