Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.56 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.51 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.51 |
| ▸ | GRK2 | P25098 | 4/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LIG1 | P18858 | 2/20 | 0.43 |
| ▸ | LIG3 | P49916 | 1/20 | 0.43 |
| ▸ | GRK5 | P34947 | 1/20 | 0.43 |
| ▸ | GRK3 | P35626 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12872563 | 0.91 | MAPT (0.52) | CFTRSIRT1MAPTSMN1; SMN2ERCC1 | |
| SCHEMBL14082231 | 0.89 | CFTR (0.59) | CFTRSIRT1MAPTERCC1ERCC4 | |
| SCHEMBL12648538 | 0.87 | CFTR (0.71) | CFTRSIRT1MAPTERCC1ERCC4 | |
| SCHEMBL12648525 | 0.85 | CFTR (0.78) | CFTRSIRT1MAPTSMN1; SMN2ERCC1 | |
| SCHEMBL14082227 | 0.80 | CFTR (0.64) | CFTRSIRT1MAPTERCC1ERCC4 | |
| SCHEMBL12648542 | 0.79 | CFTR (0.72) | CFTRSIRT1MAPTERCC1ERCC4 | |
| SCHEMBL18378408 | 0.79 | CFTR (0.72) | CFTRSIRT1MAPTERCC1ERCC4 | |
| SCHEMBL690273 | 0.78 | GRK2 (0.65) | CFTRMAPTERCC1ERCC4GRK2 | |
| SCHEMBL690272 | 0.78 | GRK2 (0.65) | CFTRMAPTERCC1ERCC4GRK2 | |
| SCHEMBL14082228 | 0.75 | GRK2 (0.63) | MAPTERCC1ERCC4GRK2ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7414037-B2 | cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-08-19 | — | — | US | disclosed |
| US-7414037-B2 | cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-08-19 | — | — | US | disclosed |