Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.34 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL249850 | 0.79 | TSHR (0.39) | TDP1TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL4610847 | 0.78 | TET2 (0.33) | TDP1GRIK1TSHRALDH1A1CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL8858462 | 0.77 | TDP1 (0.40) | TDP1TSHRALDH1A1CYP2D6CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL8858461 | 0.77 | TDP1 (0.40) | TDP1TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL1572815 | 0.77 | TSHR (0.36) | CYP2C9HSD17B10FFAR3TSHRALDH1A1 | |
| SCHEMBL5369984 | 0.77 | TSHR (0.36) | CYP2C9HSD17B10FFAR3TSHRALDH1A1 | |
| SCHEMBL28727615 | 0.75 | CYP2C9 (0.35) | CYP2C9HSD17B10FFAR3TSHRALDH1A1 | |
| SCHEMBL28450914 | 0.75 | CYP2C9 (0.35) | CYP2C9HSD17B10FFAR3TSHRALDH1A1 | |
| Tetramethylammonium Ion SCHEMBL8858617 | 0.74 | MAPT (0.39) | TDP1TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL1245572 | 0.73 | CHRM1 (0.42) | TDP1GRIK1TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081145-A | Contractile prostaglandin antagonists | MERCK FROSST CANADA, INC. (CA) | 1992-01-14 | — | — | US | disclosed |
| EP-0166591-A2 | Indole-2-alkanoic acids and their use as prostaglandin antagonists | MERCK FROSST CANADA INC. (CA) | 1986-01-02 | — | — | EP | disclosed |