Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethyl Propionate SCHEMBL28290764 | 0.87 | MITF (0.48) | MITFLMNAKMT2ARECQLMAPT | |
| SCHEMBL28292228 | 0.82 | NAAA (0.43) | MITFLMNAKMT2AMAPTALDH1A1 | |
| SCHEMBL5666107 | 0.79 | L3MBTL1 (0.46) | MITFLMNAKMT2AMAPTALDH1A1 | |
| SCHEMBL44903 | 0.79 | — | — | |
| SCHEMBL27932470 | 0.77 | — | — | |
| SCHEMBL5665758 | 0.76 | ALDH1A1 (0.34) | MITFLMNAKMT2AALDH1A1 | |
| SCHEMBL5665623 | 0.76 | PSEN1 (0.37) | MITFALDH1A1CYP2C19 | |
| Ethoxycarbonyl Group SCHEMBL27927717 | 0.75 | LMNA (0.33) | MITFPTGS2LMNAKMT2AMAPT | |
| SCHEMBL15569856 | 0.71 | CYP3A4 (0.33) | RAB9A | |
| SCHEMBL2154513 | 0.66 | HIF1A (0.37) | KMT2ARECQLMAPTALDH1A1NPC1 |
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-109706198-A | A kind of method that online enzyme process closes nitro imidazole derivatives | 浙江工业大学 | 2019-05-03 | — | — | CN | disclosed |