Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7634733 | 1.00 | TRPA1 (0.42) | TRPA1PPARGPPARAAKR1C3TSHR | |
| SCHEMBL5421635 | 0.85 | CA2 (0.45) | TRPA1AKR1C3CYP2C9BACE1CA2 | |
| SCHEMBL4266765 | 0.85 | MEN1 (0.42) | AKR1C3 | |
| SCHEMBL1921017 | 0.85 | CTBP2 (0.44) | TRPA1PPARGAKR1C3CYP2C9TDP1 | |
| SCHEMBL1921014 | 0.85 | CTBP2 (0.44) | TRPA1PPARGAKR1C3CYP2C9TDP1 | |
| SCHEMBL15301308 | 0.85 | ALDH1A1 (0.48) | TRPA1PPARGAKR1C3CYP2C9TDP1 | |
| SCHEMBL8615571 | 0.85 | MEN1 (0.42) | AKR1C3 | |
| SCHEMBL30530 | 0.84 | CYP2C9 (0.51) | AKR1C3CYP2C9CA1CA2TBXAS1 | |
| SCHEMBL30528 | 0.84 | CYP2C9 (0.51) | AKR1C3CYP2C9CA1CA2TBXAS1 | |
| SCHEMBL4896620 | 0.83 | CTBP2 (0.43) | TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0896043-B1 | Adhesive | TOKUYAMA CORP (JP) | 2002-10-23 | — | — | EP | disclosed |
| US-6133338-A | TYPIFIED BY 6-METHACRYLOYLOXYHEXYL 2-THIOURACIL-5-CARBOXYLATE, A RADICAL-POLYMERIZABLE MONOMER, AND A POLYMERIZATION INITIATOR; DENTAL ADHESIVE; GOOD ADHESIVENESS TO NOBLE METALS AND ALLOYS THEREOF | TOKUYAMA CORPORATION (JP) | 2000-10-17 | — | — | US | disclosed |
| EP-0896043-A1 | Adhesive | TOKUYAMA CORPORATION (JP) | 1999-02-10 | — | — | EP | disclosed |