Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 6/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27976386 | 0.80 | CES1 (0.38) | CES1CNR2GLATSHRATR | |
| SCHEMBL28088014 | 0.75 | CES1 (0.42) | CES1CNR2GLAPLAUATR | |
| SCHEMBL27976420 | 0.73 | KDM4E (0.31) | MAPT | |
| SCHEMBL25704059 | 0.72 | PLAU (0.40) | PLAUHTTHSD17B10ALDH1A1KMT2A | |
| SCHEMBL27976391 | 0.69 | — | — | |
| SCHEMBL27976388 | 0.66 | CFTR (0.44) | CES1 | |
| SCHEMBL13201034 | 0.64 | ATR (0.53) | CES1ATRMAPTKMT2A | |
| Dibenzoylmethane SCHEMBL29033398 | 0.62 | CYP3A4 (0.50) | CES1PLAUATRHSD17B10MEN1 | |
| SCHEMBL3962971 | 0.62 | NPC1 (0.52) | — | |
| SCHEMBL11371593 | 0.62 | MET (0.48) | GLAHSD17B10ALDH1A1MAPTPOLB |
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-103946221-B | heterocyclic compounds for the treatment of cystic fibrosis | 诺华股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-103946221-A | Heterocyclic compounds for the treatment of cystic fibrosis | NOVARTIS AG | 2014-07-23 | — | — | CN | disclosed |