Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19503414 | 0.77 | ALDH1A1 (0.46) | KMT2ATHRBALDH1A1RECQLNR1I2 | |
| SCHEMBL34466788 | 0.72 | ALDH1A1 (0.46) | ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2 | |
| SCHEMBL17394947 | 0.72 | DUT (0.34) | — | |
| SCHEMBL8354332 | 0.72 | FGFR4 (0.38) | KMT2AALDH1A1CYP3A4SMN1; SMN2LMNA | |
| SCHEMBL28944776 | 0.71 | ALDH1A1 (0.41) | KMT2ATHRBALDH1A1LMNAMAPT | |
| SCHEMBL17395038 | 0.71 | ACACB (0.30) | — | |
| SCHEMBL11149320 | 0.71 | MEN1 (0.41) | KMT2AALDH1A1RECQLSMN1; SMN2LMNA | |
| SCHEMBL4322475 | 0.70 | ALDH1A1 (0.48) | ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2 | |
| SCHEMBL485902 | 0.70 | LMNA (0.37) | KMT2ATHRBRECQLLMNAMAPT | |
| SCHEMBL5231704 | 0.69 | ALDH1A1 (0.54) | ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016001266-A1 | FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-01-07 | — | — | WO | disclosed |