Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.43 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.43 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30446355 | 0.88 | BACE1 (0.47) | BACE1PARP1PARP10TDP2 | |
| SCHEMBL20955239 | 0.80 | NR3C2 (0.52) | BACE1PKMNR3C2HTR2ACYP3A4 | |
| SCHEMBL21626819 | 0.78 | BACE1 (0.51) | BACE1NR3C2CYP3A4 | |
| SCHEMBL31492452 | 0.78 | PGR (0.49) | TDP2DAO | |
| SCHEMBL20955396 | 0.77 | BACE1 (0.50) | BACE1PKMNR3C2TDP2 | |
| SCHEMBL20955697 | 0.77 | PKM (0.53) | BACE1PKMNR3C2HTR2AHTR2C | |
| SCHEMBL16440215 | 0.77 | BACE1 (0.50) | BACE1PKMNR3C2HTR2CMEN1 | |
| Hydrochloric Acid SCHEMBL16427860 | 0.76 | BACE1 (0.49) | BACE1PKMNR3C2HTR2CMEN1 | |
| SCHEMBL17027142 | 0.76 | PGR (0.51) | TDP2 | |
| SCHEMBL31492425 | 0.76 | PGR (0.51) | TDP2 |
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-4440697-A1 | SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME | Vertex Pharmaceuticals Incorporated (US) | 2024-10-09 | — | — | EP | disclosed |
| WO-2023101981-A1 | SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-06-08 | — | — | WO | disclosed |