Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28048727 | 0.83 | POLB (0.48) | ALDH1A1ALOX15LMNAHTTCES2 | |
| SCHEMBL3440670 | 0.80 | HTT (0.51) | ALDH1A1ALOX15LMNAHTTKMT2A | |
| SCHEMBL19185970 | 0.80 | ALDH1A1 (0.62) | ALDH1A1ALOX15CES2BCHECES1 | |
| SCHEMBL27947413 | 0.79 | KMT2A (0.45) | ALDH1A1ALOX15LMNAHTTKMT2A | |
| SCHEMBL23714659 | 0.79 | GAA (0.53) | ALDH1A1LMNAKMT2AGAAMAPT | |
| SCHEMBL16952148 | 0.79 | ALDH1A1 (0.37) | ALDH1A1LMNAHTTCES2BCHE | |
| SCHEMBL11758277 | 0.77 | AKR1C3 (0.47) | ALDH1A1LMNAHTTKMT2AGAA | |
| SCHEMBL879722 | 0.75 | ALDH1A1 (0.52) | ALDH1A1ALOX15LMNAHTTCES2 | |
| SCHEMBL27447776 | 0.74 | ALDH1A1 (0.57) | ALDH1A1ALOX15CES2BCHECES1 | |
| SCHEMBL104744 | 0.74 | CES2 (0.68) | ALDH1A1ALOX15CES2BCHECES1 |
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-105377836-B | Substituted N (base of 1,2,4 triazole 3) aryl carboxamide compounds and its purposes as herbicide | 巴斯夫欧洲公司 | 2018-04-10 | — | — | CN | disclosed |