Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Triacetin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.38 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PGD | P52209 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 2/20 | 0.38 |
| ▸ | PTAFR | P25105 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Triacetin SCHEMBL9705806 | 0.94 | TDP1 (0.46) | TDP1ARMAPTPGDGAA | |
| Triacetin SCHEMBL9705802 | 0.88 | TDP1 (0.47) | TDP1ARMAPTPGDGAA | |
| Triacetin SCHEMBL9420924 | 0.86 | TDP1 (0.52) | TDP1ARGAAPRKCAMEN1 | |
| Triacetin SCHEMBL3870 | 0.85 | TDP1 (0.56) | TDP1ARGAAPRKCAMEN1 | |
| Triacetin SCHEMBL821340 | 0.85 | TDP1 (0.56) | TDP1ARGAAPRKCAMEN1 | |
| Triacetin SCHEMBL29919335 | 0.84 | TDP1 (0.47) | TDP1ARPGDGAAPRKCA | |
| Triacetin SCHEMBL8012678 | 0.83 | TDP1 (0.54) | TDP1ARGAAPRKCAMEN1 | |
| Triacetin SCHEMBL16446056 | 0.83 | TDP1 (0.54) | TDP1ARGAAPRKCAMEN1 | |
| Triacetin SCHEMBL4367394 | 0.83 | TDP1 (0.54) | TDP1ARPGDGAAPRKCA | |
| Triacetin SCHEMBL16445622 | 0.83 | TDP1 (0.54) | TDP1ARGAAPRKCAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5294649-A | Hardening agent of magnesioum hydroxide or lightburned magnesium oxide and promoter of a nitrogen-containing heterocyclic compound | BORDEN, INC. (US) | 1994-03-15 | — | — | US | disclosed |
| US-5262495-A | Magnesium oxide or magnesium hydroxide hardeners to slow gelation | BORDEN, INC. (US) | 1993-11-16 | — | — | US | disclosed |
| US-5223554-A | Comprising anions of cyanate, formate, hypophosphite, nitrate, phosphite and sulfamate; used with magnesium hardening agent | BORDEN, INC. (US) | 1993-06-29 | — | — | US | disclosed |
| US-5214111-A | Comprising magnesium hydroxide hardener and retarder compounds, chelating agents; mixed with butyrolactone and water | BORDEN, INC. (US) | 1993-05-25 | — | — | US | disclosed |
| US-5214079-A | Magnesium oxide or hydroxide | BORDEN, INC. (US) | 1993-05-25 | — | — | US | disclosed |
| US-5182346-A | Magnesium oxide or hydroxide, chelating agent | BORDEN, INC. (US) | 1993-01-26 | — | — | US | disclosed |
| US-5145913-A | Decrease solubility of magnesium oxide or magnesium hydroxide hardener | BORDEN, INC. (US) | 1992-09-08 | — | — | US | disclosed |