Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 2/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL913580 | 0.79 | BRAF (0.55) | HPGDKDM4EALDH1A1HSD17B10KMT2A | |
| SCHEMBL1462229 | 0.77 | BRAF (0.42) | — | |
| SCHEMBL6795655 | 0.77 | BRAF (0.48) | — | |
| SCHEMBL3983370 | 0.75 | METAP2 (0.64) | ACLYHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL6137932 | 0.73 | ACLY (0.69) | ACLYHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL4357672 | 0.72 | GLO1 (0.51) | ACLYHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL13510428 | 0.72 | MCL1 (0.60) | ACLYHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL7686172 | 0.72 | ACLY (0.71) | ACLYHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL14563534 | 0.72 | ALDH1A1 (0.46) | ACLYHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL22315270 | 0.71 | KMT2A (0.59) | ACLYHPGDKDM4EALDH1A1HSD17B10 |
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-0623592-B1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | VERTEX PHARMA (US) | 2001-06-27 | — | — | EP | disclosed |
| EP-0623592-A1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | STERLING WINTHROP INC. (US) | 1994-11-09 | — | — | EP | disclosed |