Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5467665 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL2475361 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL173301 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL1695055 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP3A4SLC6A4MAOASLC6A2 | |
| Bromide SCHEMBL8645583 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Phosphine SCHEMBL28908227 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Water SCHEMBL29179560 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL23953359 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL9285926 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Hydrogen Peroxide SCHEMBL7816450 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TP53ALOX15TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106065003-A | Sorbitol derivatives and its synthetic dbs kinds of polyolefin nucleating agent and its preparation method and application thereof | 苏州亚培克生物科技有限公司 | 2016-11-02 | — | — | CN | claimed |
| EP-0410379-B1 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5068465-A | Hypotensive agents or enzyme inhibitors for treatment of hypertension | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0410379-A2 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |
| US-4981868-A | ENZYME INHIBITORS, HYPOTENSIVES | MERRELL DOW PHARMACEUTICAL (US) | 1991-01-01 | — | — | US | disclosed |