Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.45 |
| ▸ | IKBKB | O14920 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | CHUK | O15111 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28057682 | 0.86 | ABCC9 (0.39) | CFTRIKBKBABCC9ABCC8KCNJ11 | |
| SCHEMBL28156746 | 0.79 | CFTR (0.40) | CFTRIKBKBLMNAHSD11B1ABCC9 | |
| SCHEMBL28057794 | 0.69 | MEN1 (0.47) | CFTRLMNAMAPTKMT2ATHRB | |
| SCHEMBL28156822 | 0.68 | CFTR (0.32) | CFTRLMNAMAPTKMT2AKDM4E | |
| SCHEMBL28057649 | 0.68 | LMNA (0.39) | LMNAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL28157273 | 0.67 | ABCC9 (0.39) | CFTRIKBKBABCC9ABCC8KCNJ11 | |
| Potassium SCHEMBL31176741 | 0.62 | HTR2A (0.63) | CFTRIKBKBHSD11B1F2PRSS1 | |
| SCHEMBL16246531 | 0.62 | ALDH1A1 (0.52) | IKBKBLMNAMAPTKMT2AKDM4E | |
| SCHEMBL12289440 | 0.60 | F2 (0.46) | CFTRHSD11B1ABCC9ABCC8KCNJ11 | |
| SCHEMBL2121770 | 0.59 | HSD11B1 (0.55) | LMNAHSD11B1F2PRSS1PRSS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105531268-A | Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis | GALAPAGOS NV | 2016-04-27 | — | — | CN | disclosed |