Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL8021114 | 0.72 | IDO1 (0.38) | KCNH2IDO1PNMTHTTALDH1A1 | |
| SCHEMBL9683385 | 0.72 | ALDH1A1 (0.40) | IDO1PNMTHTTALDH1A1ATM | |
| SCHEMBL29290780 | 0.71 | IDO1 (0.41) | KCNH2IDO1PNMTHTTALDH1A1 | |
| SCHEMBL31142998 | 0.69 | IDO1 (0.38) | KCNH2IDO1PNMTHTTALDH1A1 | |
| SCHEMBL6573590 | 0.69 | IDO1 (0.38) | KCNH2IDO1PNMTHTTALDH1A1 | |
| SCHEMBL28745156 | 0.68 | IDO1 (0.34) | IDO1PNMTHTTALDH1A1KDM4E | |
| SCHEMBL8937863 | 0.68 | IDO1 (0.37) | KCNH2IDO1PNMTHTTALDH1A1 | |
| SCHEMBL29003558 | 0.67 | RAB9A (0.41) | KCNH2IDO1PNMTALDH1A1TAAR1 | |
| SCHEMBL28546864 | 0.66 | MEN1 (0.44) | IDO1PNMTHTTALDH1A1KDM4E | |
| SCHEMBL1824822 | 0.64 | MAOA (0.52) | KCNH2IDO1PNMTHTTTAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0618918-A1 | PROCESS FOR THE PREPARATION OF ETHER SOLUTIONS OF GRIGNARD COMPOUNDS | ZENECA LIMITED (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993012121-A1 | PROCESS FOR THE PREPARATION OF ETHER SOLUTIONS OF GRIGNARD COMPOUNDS | ZENECA LIMITED (GB) | 1993-06-24 | — | — | WO | disclosed |