Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6203365 | 0.92 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1RECQLMEN1KMT2A | |
| SCHEMBL6204340 | 0.84 | NPSR1 (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL6202201 | 0.83 | CES2 (0.41) | ALDH1A1KMT2ASMN1; SMN2RAB9ACES2 | |
| SCHEMBL24327742 | 0.82 | PPARG (0.50) | ALDH1A1MEN1KMT2APOLBBRD4 | |
| SCHEMBL6203176 | 0.82 | MEN1 (0.51) | ALDH1A1L3MBTL1RECQLMEN1KMT2A | |
| SCHEMBL25827 | 0.79 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL28172808 | 0.79 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2 | |
| Methyl Alcohol SCHEMBL27283147 | 0.77 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2 | |
| Hydrogen Sulfide SCHEMBL28273341 | 0.77 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2 | |
| Water SCHEMBL27786448 | 0.77 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1MEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |