Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GRM8 | O00222 | 1/20 | 0.46 |
| ▸ | GRM6 | O15303 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.46 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29412215 | 0.87 | BLM (0.44) | CYP2D6NFKB1TSHRSLC6A2SLC6A4 | |
| SCHEMBL176230 | 0.84 | CYP2D6 (0.50) | CYP2D6NFKB1TSHRSLC6A2SLC6A4 | |
| SCHEMBL2518196 | 0.84 | CYP2D6 (0.50) | CYP2D6NFKB1TSHRSLC6A2SLC6A4 | |
| SCHEMBL27503400 | 0.79 | SMN1; SMN2 (0.36) | TSHRTDP1 | |
| SCHEMBL28743140 | 0.79 | SMN1; SMN2 (0.36) | TSHRTDP1 | |
| SCHEMBL27561734 | 0.79 | SMN1; SMN2 (0.36) | TSHRTDP1 | |
| SCHEMBL7205197 | 0.73 | TSHR (0.46) | CYP2D6NFKB1TSHRSLC6A2SLC6A4 | |
| SCHEMBL10609773 | 0.72 | CYP1A2 (0.48) | CYP2D6NFKB1TSHRSLC6A2SLC6A4 | |
| SCHEMBL666790 | 0.72 | GRIK1 (0.48) | TSHRSLC6A2SLC6A4BLMSLC6A3 | |
| SCHEMBL176228 | 0.72 | GRIK1 (0.48) | TSHRSLC6A2SLC6A4BLMSLC6A3 |
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-0869967-A2 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997022619-A2 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-06-26 | — | — | WO | disclosed |