Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SCNN1A | P37088 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27976388 | 0.80 | CFTR (0.44) | CES1 | |
| SCHEMBL14784661 | 0.77 | P2RX7 (0.40) | P2RX7ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL28088010 | 0.75 | CES1 (0.38) | CES1ALDH1A1GLAHSD17B10GAA | |
| SCHEMBL14784182 | 0.75 | KMT2A (0.45) | CES1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL14784270 | 0.72 | CFTR (0.42) | P2RX7ALDH1A1KDM4EGAANPC1 | |
| SCHEMBL13201034 | 0.65 | ATR (0.53) | CES1MAPTATR | |
| SCHEMBL5080 | 0.65 | MEN1 (0.65) | CES1ALDH1A1HPGDGAACYP1A2 | |
| Hydrochloric Acid SCHEMBL28363647 | 0.63 | MEN1 (0.63) | CES1ALDH1A1HPGDGAACYP1A2 | |
| SCHEMBL27976390 | 0.63 | P2RX7 (0.46) | P2RX7ATR | |
| SCHEMBL27688627 | 0.63 | P2RX7 (0.46) | P2RX7ALDH1A1KDM4EGAAMAPT |
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 |