Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL301722 | 0.97 | ACACB (0.40) | ACACBACACAGRM2GRM3TSHR | |
| SCHEMBL28065497 | 0.95 | ACACB (0.39) | ACACBACACAGRM2GRM3TSHR | |
| SCHEMBL28552427 | 0.83 | ACACB (0.41) | ACACBACACATSHRALDH1A1ACLY | |
| SCHEMBL11619279 | 0.80 | ACACB (0.36) | ACACBACACAGRM2GRM3TSHR | |
| SCHEMBL29833572 | 0.80 | TSHR (0.37) | ACACBACACAGRM2GRM3TSHR | |
| Hydrogen Peroxide SCHEMBL5147765 | 0.79 | ALDH1A1 (0.38) | GRM2GRM3ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL18112355 | 0.78 | MMP8 (0.36) | GRM2GRM3TSHRALDH1A1CYP2C19 | |
| SCHEMBL9710109 | 0.77 | ACACB (0.38) | ACACBACACATSHRALDH1A1ACLY | |
| SCHEMBL17299152 | 0.77 | FDPS (0.41) | ACACBACACAGRM2GRM3TSHR | |
| SCHEMBL9688268 | 0.77 | ACACB (0.38) | ACACBACACATSHRALDH1A1ACLY |
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 |
|---|---|---|---|---|---|---|---|
| CN-103068807-B | By using the preparation method of phenyl substituted heterocycle derivative of coupling process of palladium compound | TEIJIN PHARMA LTD. (JP) | 2016-05-25 | — | — | CN | claimed |
| CN-103068807-B | By using the preparation method of phenyl substituted heterocycle derivative of coupling process of palladium compound | TEIJIN PHARMA LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |