Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.52 |
| ▸ | SIRT1 | Q96EB6 | 9/20 | 0.48 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | OXTR | P30559 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12872691 | 0.92 | CFTR (0.51) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12872676 | 0.91 | CFTR (0.52) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12594719 | 0.85 | CFTR (0.61) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12594745 | 0.85 | CFTR (0.61) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL14082249 | 0.84 | CFTR (0.45) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12594724 | 0.83 | CFTR (0.61) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12887923 | 0.81 | CFTR (0.58) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12594732 | 0.80 | CFTR (0.57) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12594765 | 0.79 | CFTR (0.56) | CFTRSIRT1FTOSIRT2SIRT3 | |
| SCHEMBL12594706 | 0.79 | CFTR (0.55) | CFTRSIRT1FTOSIRT2SIRT3 |
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-7888332-B2 | Hydrazide-containing CFTR inhibitor compounds and uses thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-02-15 | — | — | 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 |