Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29483822 | 0.83 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C19S1PR4 | |
| SCHEMBL21608377 | 0.83 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C19S1PR4 | |
| SCHEMBL9798625 | 0.80 | ALDH1A1 (0.36) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| SCHEMBL32889335 | 0.80 | S1PR4 (0.37) | S1PR4ALDH1A1KCNJ1CCR1 | |
| SCHEMBL9861643 | 0.77 | KCNJ1 (0.40) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| SCHEMBL13724584 | 0.71 | NOS3 (0.34) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| SCHEMBL599850 | 0.70 | — | — | |
| SCHEMBL29467490 | 0.70 | — | — | |
| SCHEMBL376483 | 0.70 | — | — | |
| SCHEMBL29408229 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |