Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 5/20 | 0.41 |
| ▸ | HEXB | P07686 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 6/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL24331481 | 1.00 | HEXA (0.41) | HEXAHEXBSMN1; SMN2KDM4EHPGD | |
| SCHEMBL24309881 | 0.84 | ADORA2A (0.51) | HEXAHEXBSMN1; SMN2KDM4EHPGD | |
| SCHEMBL11154581 | 0.80 | ADORA2A (0.47) | HEXAHEXBSMN1; SMN2KDM4EHPGD | |
| SCHEMBL29515320 | 0.80 | HSP90AA1 (0.42) | DHFRHSP90AA1ADORA2AKMT2AALDH1A1 | |
| SCHEMBL24330396 | 0.80 | HSP90AA1 (0.42) | DHFRHSP90AA1ADORA2AKMT2AALDH1A1 | |
| SCHEMBL24331365 | 0.77 | HSP90AA1 (0.41) | HSP90AA1ADORA2AKMT2AMEN1ADORA1 | |
| SCHEMBL29515534 | 0.77 | HSP90AA1 (0.41) | HSP90AA1ADORA2AKMT2AADORA1 | |
| SCHEMBL24331073 | 0.77 | HSP90AA1 (0.41) | HSP90AA1ADORA2AKMT2AADORA1 | |
| SCHEMBL29515175 | 0.74 | HSP90AA1 (0.45) | HSP90AA1NPSR1ADORA2AADORA1 | |
| SCHEMBL24331124 | 0.74 | HSP90AA1 (0.45) | HSP90AA1NPSR1ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4504739-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2025-02-12 | — | — | EP | disclosed |
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| 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 |