Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.30 |
| ▸ | CD38 | P28907 | 1/20 | 0.30 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24330533 | 1.00 | HSP90AA1 (0.35) | HSP90AA1ADORA2ANPC1RAB9ATP53 | |
| SCHEMBL24331524 | 0.83 | GABRA1 (0.36) | HSP90AA1ADORA2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29515213 | 0.83 | GABRA1 (0.36) | HSP90AA1ADORA2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29515019 | 0.81 | NOS3 (0.35) | HSP90AA1ADORA2ANPC1RAB9AJAK2 | |
| SCHEMBL24330556 | 0.81 | NOS3 (0.35) | HSP90AA1ADORA2ANPC1RAB9AJAK2 | |
| SCHEMBL24330396 | 0.79 | HSP90AA1 (0.42) | HSP90AA1ADORA2ANPC1RAB9AJAK2 | |
| SCHEMBL29515320 | 0.79 | HSP90AA1 (0.42) | HSP90AA1ADORA2ANPC1RAB9AJAK2 | |
| SCHEMBL24331143 | 0.79 | — | — | |
| SCHEMBL29515221 | 0.79 | — | — | |
| SCHEMBL24330488 | 0.78 | HSP90AA1 (0.34) | HSP90AA1ADORA2ANPC1RAB9AJAK2 |
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 |