Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7065648 | 0.79 | SMN1; SMN2 (0.51) | TSHRCYP2D6CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL29225318 | 0.78 | TSHR (0.57) | TSHRCYP3A4CYP1A2CYP2C9HIF1A | |
| SCHEMBL7861886 | 0.76 | CALM1 (0.52) | TSHRCYP2D6CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL29085116 | 0.75 | TSHR (0.50) | TSHRCYP2D6CYP2C19CYP3A4GAA | |
| Chloromethane SCHEMBL27508976 | 0.73 | CALM1 (0.44) | TSHRCYP2D6CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL28682631 | 0.73 | ALDH1A1 (0.58) | TSHRCYP2D6CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL28389637 | 0.73 | TSHR (0.44) | TSHRCYP2D6CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL1276090 | 0.73 | CALM1 (0.48) | TSHRCYP2D6CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL5648473 | 0.72 | BCL2 (0.55) | CYP3A4BCL2BCL2L1GAAHIF1A | |
| SCHEMBL11621280 | 0.72 | CTRC (0.44) | CYP3A4BCL2BCL2L1HIF1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |