Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | PCTP | Q9UKL6 | 1/20 | 0.37 |
| ▸ | STARD10 | Q9Y365 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24330665 | 0.89 | TSHR (0.40) | TSHRPGRPKMSMN1; SMN2GAA | |
| SCHEMBL29703022 | 0.89 | TSHR (0.40) | TSHRPGRPKMSMN1; SMN2GAA | |
| SCHEMBL26822143 | 0.86 | CYTH2 (0.45) | TSHRPKMSMN1; SMN2GAAACLY | |
| SCHEMBL24325422 | 0.83 | PKM (0.41) | TSHRPKMSMN1; SMN2GAAACLY | |
| SCHEMBL29447227 | 0.83 | KDM4E (0.50) | TSHRACLYKDM4EKMT2AALDH1A1 | |
| SCHEMBL22502033 | 0.83 | KDM4E (0.50) | TSHRACLYKDM4EKMT2AALDH1A1 | |
| SCHEMBL29570965 | 0.83 | PKM (0.41) | TSHRPKMSMN1; SMN2GAAACLY | |
| SCHEMBL24299125 | 0.83 | HDAC3 (0.42) | PTGES2TSHRPKMSMN1; SMN2ACLY | |
| SCHEMBL26838876 | 0.82 | TSHR (0.40) | TSHRPGRPKMSMN1; SMN2GAA | |
| SCHEMBL22501936 | 0.82 | SLC40A1 (0.49) | TSHRSMN1; SMN2ACLYKMT2AKDM1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225763-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076626-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2022076626-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |