Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 7/20 | 0.53 |
| ▸ | WNT3A | P56704 | 7/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1651850 | 0.90 | CES2 (0.70) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL10352791 | 0.87 | CES2 (0.52) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL28064749 | 0.84 | CES2 (0.61) | CES2CES1ALDH1A1POLBHPGD | |
| Levulinic Acid SCHEMBL14053668 | 0.83 | ERCC5 (0.49) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL28250138 | 0.83 | GAA (0.49) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL183688 | 0.82 | ERCC5 (0.65) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL7718179 | 0.82 | ERCC5 (0.59) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL3506264 | 0.82 | CES2 (0.59) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL28318931 | 0.82 | ALDH1A1 (0.57) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL8544013 | 0.82 | CES2 (0.64) | CES2CES1ALDH1A1POLBHPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117342963-A | 1, 4-dicarbonyl compound, and preparation method and application thereof | 上海予君生物科技发展有限公司 | 2024-01-05 | — | — | CN | disclosed |
| WO-2017063910-A1 | AGONISTS OF THE CHEMOKINE RECEPTOR CXCR3 | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2017-04-20 | — | — | WO | disclosed |
| EP-3156398-A1 | AGONISTS OF THE CHEMOKINE RECEPTOR CXCR3 | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2017-04-19 | — | — | EP | disclosed |
| EP-0500005-B1 | Process for the preparation of substituted indenes | HOECHST AG (DE) | 1996-02-07 | — | — | EP | disclosed |
| US-5194619-A | PROCESS FOR THE PREPARATION OF SUBSTITUTED INDENES | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-16 | — | — | US | disclosed |
| EP-0500005-A1 | Process for the preparation of substituted indenes | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-08-26 | — | — | EP | disclosed |
| US-4035395-A | Process for the preparation of ketones | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-12 | — | — | US | disclosed |