Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 10/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6532116 | 0.83 | MAPT (0.38) | CASP1MAPTCACNA1BAPBA1GRIK1 | |
| SCHEMBL1023366 | 0.83 | MAPT (0.38) | CASP1MAPTCACNA1BAPBA1GRIK1 | |
| Hydrochloric Acid SCHEMBL8140432 | 0.81 | MAPT (0.37) | CASP1MAPTCACNA1BAPBA1GRIK1 | |
| SCHEMBL27566951 | 0.80 | SMN1; SMN2 (0.36) | TSHRTDP1CYP2D6 | |
| SCHEMBL27546128 | 0.71 | TDP1 (0.35) | CASP1MAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL6745057 | 0.70 | CASP1 (0.35) | CASP1MAPTCACNA1BAPBA1GRIK1 | |
| SCHEMBL27587694 | 0.70 | TDP1 (0.38) | CASP1MAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL2524519 | 0.70 | TDP1 (0.40) | MAPTCACNA1BAPBA1CYP3A4TSHR | |
| SCHEMBL367991 | 0.70 | SMN1; SMN2 (0.44) | CASP1MAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL7489183 | 0.70 | SMN1; SMN2 (0.44) | CASP1MAPTCACNA1BAPBA1CYP3A4 |
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-0784628-A1 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1997-07-23 | — | — | EP | disclosed |
| WO-1995035308-A1 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-12-28 | — | — | WO | disclosed |