Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789477 | 0.80 | CYP2C19 (0.40) | CYP2C19HIF1ATDP1KMT2AHTT | |
| SCHEMBL3786557 | 0.78 | CYP2C19 (0.47) | CYP2C19HIF1AKMT2AALDH1A1NPC1 | |
| SCHEMBL4114605 | 0.77 | ALDH1A1 (0.38) | CYP2C19TDP1SLC6A2SLC6A3KMT2A | |
| SCHEMBL16430301 | 0.73 | CYP2C19 (0.47) | CYP2C19HIF1ATDP1SLC6A2SLC6A3 | |
| SCHEMBL27369729 | 0.73 | ADH1B (0.38) | KMT2AALDH1A1PTPN1 | |
| SCHEMBL8789732 | 0.70 | ADH1B (0.40) | CYP2C19HIF1ATDP1SLC6A2SLC6A3 | |
| SCHEMBL8875373 | 0.69 | MMP12 (0.41) | CYP2C19KMT2ANPC1 | |
| SCHEMBL24361875 | 0.68 | KMT2A (0.47) | TDP1SLC6A2SLC6A3KMT2AHTT | |
| SCHEMBL418323 | 0.68 | TDP1 (0.47) | CYP2C19HIF1ATDP1SLC6A2SLC6A3 | |
| SCHEMBL584498 | 0.67 | CYP2C19 (0.48) | CYP2C19HIF1ATDP1SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1078919-A1 | SYNTHESIS OF $g(a)-AMINO-$g(a)',$g(a)'-DIHALOKETONES AND PROCESS FOR THE PREPARATION OF $g(b)-AMINO ACID DERIVATIVES BY THE USE OF THE SAME | KANEKA CORPORATION (JP) | 2001-02-28 | — | — | EP | disclosed |