Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.37 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.37 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.37 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL4184679 | 0.96 | TDP1 (0.44) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL993252 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL9187012 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL12477517 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL11214345 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL17060450 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL150379 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL9442373 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL17709449 | 0.92 | — | — | |
| Phenol SCHEMBL264361 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084628-A | Rare earth metal organic compound and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-05-28 | — | — | CN | disclosed |
| CN-114276512-A | Recyclable polyester polyurethane and preparation method thereof | 南京先进生物材料与过程装备研究院有限公司 | 2022-04-05 | — | — | CN | disclosed |
| EP-0345861-B1 | ALKOXYLATION PROCESS CATALYZED BY COMPOUNDS OF THE RARE EARTH ELEMENTS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-01-20 | — | — | EP | disclosed |
| EP-0321053-B1 | ALKOXYLATION PROCESS USING CATALYSTS OF THE LANTHANUM SERIES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-08-26 | — | — | EP | disclosed |
| US-5059719-A | Using soluble, basic, organic rare earth compounds for the reaction of alkylene oxide adducts from an alkylene oxide and an active hydrogen-containing compound | SHELL OIL COMPANY (US) | 1991-10-22 | — | — | US | disclosed |
| US-5057628-A | Forming alkylene oxide adducts from vicinal alkylene oxides and active hydrogen containing compounds | SHELL OIL COMPANY (US) | 1991-10-15 | — | — | US | disclosed |
| EP-0345861-A1 | Alkoxylation process catalyzed by compounds of the rare earth elements | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-12-13 | — | — | EP | disclosed |
| EP-0321053-A1 | Alkoxylation process using catalysts of the lanthanum series | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-06-21 | — | — | EP | disclosed |