Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| Ethyl Propionate SCHEMBL28290764 | 0.87 | MITF (0.48) | ALDH1A1TDP1LMNAMAPTNPC1 | |
| SCHEMBL28292215 | 0.82 | MITF (0.37) | ALDH1A1HTTLMNAMAPTNPC1 | |
| SCHEMBL3010143 | 0.72 | TSHR (0.45) | NAAAALDH1A1TDP1LMNAKMT2A | |
| SCHEMBL27932470 | 0.72 | — | — | |
| SCHEMBL26794 | 0.70 | — | — | |
| SCHEMBL28562463 | 0.70 | NAAA (0.82) | NAAAALDH1A1TDP1HTTLMNA | |
| Ethoxycarbonyl Group SCHEMBL27927717 | 0.70 | LMNA (0.33) | ALDH1A1HTTLMNAMAPTMITF | |
| SCHEMBL13039718 | 0.69 | GAA (0.40) | NAAAALDH1A1HTTLMNASMN1; SMN2 | |
| SCHEMBL3008544 | 0.69 | LMNA (0.54) | ALDH1A1TDP1LMNAMAPTESR1 | |
| SCHEMBL2999670 | 0.69 | NAAA (0.45) | NAAAALDH1A1LMNASMN1; SMN2MAPK1 |
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 |