Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28292215 | 0.87 | MITF (0.37) | MITFMAPTRECQLRAB9ASMN1; SMN2 | |
| SCHEMBL28292228 | 0.87 | NAAA (0.43) | MITFMAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL44903 | 0.78 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27927717 | 0.77 | LMNA (0.33) | MITFMAPTALDH1A1LMNAKMT2A | |
| SCHEMBL27932470 | 0.76 | — | — | |
| SCHEMBL8999787 | 0.72 | KDM4E (0.43) | ALDH1A1LMNAKMT2AMEN1CYP1A2 | |
| SCHEMBL5666107 | 0.70 | L3MBTL1 (0.46) | MITFMAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL27410760 | 0.69 | ALDH1A1 (0.36) | SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A | |
| SCHEMBL1441637 | 0.69 | KMT2A (0.44) | SMN1; SMN2ALDH1A1LMNAMAPK1KMT2A | |
| SCHEMBL13039718 | 0.67 | GAA (0.40) | SMN1; SMN2ALDH1A1LMNAHPGDMAPK1 |
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 |