Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AOC1 | P19801 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL7201559 | 0.85 | ALDH1A1 (0.55) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL20368393 | 0.85 | ALDH1A1 (0.55) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL20835018 | 0.83 | ALDH1A1 (0.48) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL27299822 | 0.82 | ALDH1A1 (0.57) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL27919913 | 0.80 | ALDH1A1 (0.41) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL17119507 | 0.79 | LMNA (0.47) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL14271869 | 0.79 | ALDH1A1 (0.53) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL27309611 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL23845319 | 0.78 | PNMT (0.43) | ALDH1A1GAAALOX12HTTHIF1A | |
| SCHEMBL21507934 | 0.78 | HTR1D (0.39) | ALDH1A1GAAALOX12HTTHIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3904450-A1 | COMPOSITION AND MOLDED ARTICLE | Akita University (JP) | 2021-11-03 | — | — | EP | disclosed |
| EP-3116859-B1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-08-01 | — | — | EP | disclosed |
| WO-2017198221-A1 | PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE | 浙江海正药业股份有限公司 | 2017-11-23 | — | — | WO | disclosed |