Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | USP10 | Q14694 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL28413275 | 0.90 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL2974514 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL2974516 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL28539174 | 0.88 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL28556722 | 0.88 | MAPT (0.39) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL377154 | 0.88 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL377153 | 0.88 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL769472 | 0.87 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL769471 | 0.87 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRHTTMEN1 | |
| SCHEMBL1787901 | 0.81 | GLRA3 (0.40) | ALDH1A1TDP1TSHRHTTSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117924170-A | Methods for preparing modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-111479804-B | Methods for preparing modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-105848657-B | Methods of making pharmaceutical compositions for treating CFTR mediated diseases | 沃泰克斯药物股份有限公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-110267948-A | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods of making the modulators | 弗特克斯药品有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-102361855-B | Process for the preparation of modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INC. (US) | 2015-09-02 | — | — | CN | disclosed |
| CN-102665715-A | Compositions for treatment of cystic fibrosis and other chronic diseases | VERTEX PHARMA | 2012-09-12 | — | — | CN | disclosed |