Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | RHOA | P61586 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL28326808 | 0.88 | CYP3A4 (0.62) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL21007 | 0.85 | CYP3A4 (0.69) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL28343462 | 0.85 | CYP3A4 (0.69) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| Benzene SCHEMBL28207781 | 0.85 | CYP3A4 (0.69) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL11804204 | 0.84 | CYP3A4 (0.62) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL11306827 | 0.84 | CYP3A4 (0.67) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL2788103 | 0.84 | CYP3A4 (0.67) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL1355708 | 0.84 | CYP3A4 (0.67) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL7587574 | 0.84 | CYP3A4 (0.67) | CYP3A4TSHRALDH1A1HSD17B10PKM | |
| SCHEMBL11786326 | 0.84 | CYP3A4 (0.67) | CYP3A4TSHRALDH1A1HSD17B10PKM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311692-A1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1989-04-19 | — | — | EP | claimed |
| CN-105969404-B | Liquid crystal aligning agent, liquid crystal alignment film formed by liquid crystal aligning agent and liquid crystal display element | 奇美实业股份有限公司 | 2018-03-23 | — | — | CN | disclosed |
| US-5137653-A | Alkanoyl ester compounds and their intermediates and method of producing the same | NIPPON MINING CO., LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0311692-B1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1992-07-08 | — | — | EP | disclosed |
| EP-0311692-A1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1989-04-19 | — | — | EP | disclosed |
| US-4378366-A | HYPOTENSIVE AND CARDIOTONIC AGENTS; ADRENERGIC STIMULANTS | SCIENCE UNION ET CIE (FR) | 1983-03-29 | — | — | US | disclosed |