Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL280150 | 0.82 | MAPT (0.54) | ALDH1A1MEN1KMT2ATSHRHTT | |
| SCHEMBL28282184 | 0.81 | LMNA (0.46) | ALDH1A1MEN1KMT2ATSHRHTT | |
| Hydrochloric Acid SCHEMBL27286730 | 0.81 | MAPT (0.52) | ALDH1A1MEN1KMT2ATSHRHTT | |
| SCHEMBL124981 | 0.80 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2ATSHRMAOB | |
| SCHEMBL29437308 | 0.80 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2ATSHRMAOB | |
| SCHEMBL8945818 | 0.80 | MAOA (0.59) | ALDH1A1MEN1KMT2ATSHRMAOB | |
| SCHEMBL1665800 | 0.79 | CYP1A2 (0.51) | ALDH1A1MEN1KMT2ATSHRHTT | |
| SCHEMBL31540626 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MEN1KMT2ATSHRMAOB | |
| SCHEMBL28337088 | 0.78 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2ATSHRMAOB | |
| Butyrophenone SCHEMBL28870598 | 0.78 | L3MBTL1 (0.57) | ALDH1A1MEN1KMT2AHTTLMNA |
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-106140147-A | A kind of p nitro ethylbenzene aoxidizes p-nitroacetophenone catalyst processed and preparation method thereof | 盐城工业职业技术学院 | 2016-11-23 | — | — | CN | disclosed |