Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24331171 | 1.00 | AKR1C3 (0.38) | AKR1C3KMT2AMEN1POLBMAPT | |
| SCHEMBL24331952 | 0.91 | ALDH1A1 (0.37) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL29515226 | 0.91 | ALDH1A1 (0.37) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL29515013 | 0.87 | ALDH1A1 (0.40) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL24331066 | 0.87 | ALDH1A1 (0.40) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL24331172 | 0.85 | LDHA (0.31) | — | |
| SCHEMBL29515185 | 0.84 | ALDH1A1 (0.36) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL24331145 | 0.84 | ALDH1A1 (0.36) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL30588747 | 0.84 | CASP3 (0.37) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL26126196 | 0.84 | CASP3 (0.37) | AKR1C3KMT2AMEN1ALDH1A1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225761-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076620-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |