Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.42 |
| ▸ | BCHE | P06276 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL24287332 | 1.00 | ACHE (0.42) | ACHEBCHESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL24287268 | 0.87 | TP53 (0.40) | ACHEBCHESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL26813118 | 0.82 | ACHE (0.36) | ACHEBCHESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL24287264 | 0.81 | ACHE (0.41) | ACHEBCHESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL24287272 | 0.76 | ACHE (0.41) | ACHEBCHESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL24287270 | 0.76 | ACHE (0.41) | ACHEBCHESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL24287762 | 0.73 | KDM4E (0.50) | HPGDALDH1A1CYP1A2NPC1 | |
| SCHEMBL24287460 | 0.72 | EEF2K (0.32) | — | |
| SCHEMBL26813358 | 0.71 | HTR1A (0.36) | SMN1; SMN2HPGDALDH1A1MEN1KMT2A | |
| SCHEMBL24287263 | 0.70 | TP53 (0.40) | ACHEBCHESMN1; SMN2HPGDALDH1A1 |
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-4225750-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076629-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |