Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8078154 | 0.95 | CA1 (0.42) | CA1CES1CES2ALDH1A1TP53 | |
| SCHEMBL5859800 | 0.95 | CA1 (0.42) | CA1CES1CES2ALDH1A1TP53 | |
| SCHEMBL8159768 | 0.93 | CES2 (0.44) | CES1CES2ALDH1A1FDPSTSHR | |
| SCHEMBL11765071 | 0.93 | CES2 (0.44) | CA1CES1CES2ALDH1A1FDPS | |
| SCHEMBL6282568 | 0.91 | CA1 (0.39) | CA1CES1CES2FDPSFFAR3 | |
| SCHEMBL10916442 | 0.89 | CES2 (0.44) | CES1CES2ALDH1A1FDPSTSHR | |
| SCHEMBL2961320 | 0.89 | CES2 (0.44) | CES1CES2ALDH1A1FDPSTSHR | |
| Zinc Ion SCHEMBL7513744 | 0.89 | CES2 (0.44) | CES1CES2ALDH1A1FDPSTSHR | |
| SCHEMBL28427717 | 0.89 | CES2 (0.44) | CES1CES2ALDH1A1FDPSTSHR | |
| SCHEMBL7453680 | 0.89 | CES2 (0.44) | CES1CES2ALDH1A1FDPSTSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4039655-A | COMPOSITIONS CONTAINING ORGANO GERMANIUM COMPOUNDS USEFUL IN THE PREVENTION OF CARIES | KERK GERRIT J M V D | 1977-08-02 | — | — | US | claimed |
| WO-2022138854-A1 | TEMPERATURE SENSITIVE PROBE | 株式会社ダイセル | 2022-06-30 | — | — | WO | disclosed |
| CN-113631253-A | Explosive composition, method for producing same, and method for producing heteroatom-doped nanodiamond | 株式会社大赛璐 | 2021-11-09 | — | — | CN | disclosed |
| CN-113631512-A | Nano-diamond doped with heteroatom | 株式会社大赛璐 | 2021-11-09 | — | — | CN | disclosed |
| CN-113631252-A | Method for producing and purifying carbon group element-doped nanodiamond | 株式会社大赛璐 | 2021-11-09 | — | — | CN | disclosed |
| WO-2020195998-A9 | EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND | 株式会社ダイセル | 2020-12-03 | — | — | WO | disclosed |
| WO-2020195998-A1 | EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND | 株式会社ダイセル | 2020-10-01 | — | — | WO | disclosed |
| US-6080697-A | CATALYST FOR CONVERTING ALKYLAROMATIC COMPOUNDS TO DIALKYLAROMATIC COMPOUNDS. | PHILLIPS PETROLEUM COMPANY (US) | 2000-06-27 | — | — | US | disclosed |
| US-4039655-A | COMPOSITIONS CONTAINING ORGANO GERMANIUM COMPOUNDS USEFUL IN THE PREVENTION OF CARIES | KERK GERRIT J M V D | 1977-08-02 | — | — | US | disclosed |