Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.48 |
| ▸ | TSHR | P16473 | 10/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KYNU | Q16719 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26569247 | 1.00 | CTRB1 (0.51) | CTRB1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL24324138 | 1.00 | CTRB1 (0.51) | CTRB1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL3611336 | 0.96 | CTRB1 (0.50) | CTRB1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL6091673 | 0.95 | CTRB1 (0.53) | CTRB1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL3607911 | 0.85 | CTRB1 (0.48) | CTRB1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL18762577 | 0.84 | CTSK (0.50) | CYP3A4TSHRCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL18762504 | 0.84 | CTSK (0.50) | CYP3A4TSHRCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL13502979 | 0.84 | CTRB1 (0.47) | CTRB1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL26122643 | 0.83 | CTRB1 (0.51) | CTRB1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL2398018 | 0.82 | KYNU (0.57) | CYP3A4TSHRCYP2C9CYP2C19CYP1A2 |
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-4225765-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |