Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.57 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.57 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.57 |
| ▸ | MMP9 | P14780 | 10/20 | 0.52 |
| ▸ | MMP2 | P08253 | 9/20 | 0.52 |
| ▸ | MMP3 | P08254 | 9/20 | 0.52 |
| ▸ | MMP13 | P45452 | 9/20 | 0.52 |
| ▸ | MMP1 | P03956 | 8/20 | 0.52 |
| ▸ | MMP7 | P09237 | 8/20 | 0.52 |
| ▸ | ADAMTS4 | O75173 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964633 | 0.87 | SLC1A3 (0.74) | KDM4ESLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL4588941 | 0.87 | SLC1A3 (0.74) | KDM4ESLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL9276421 | 0.85 | ADAMTS4 (0.50) | KDM4ESLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL8171825 | 0.78 | MMP2 (0.60) | KDM4ESLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL7293770 | 0.77 | ALDH1A1 (0.64) | KDM4ESLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL27646851 | 0.75 | ADAMTS4 (0.57) | KDM4EMMP9MMP2MMP3MMP13 | |
| SCHEMBL10597168 | 0.74 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL14398393 | 0.74 | MMP2 (0.56) | SLC1A3SLC1A2SLC1A1MMP9MMP2 | |
| Phenanthroline SCHEMBL27895995 | 0.74 | SLC1A3 (0.56) | KDM4ESLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL3973093 | 0.73 | MMP2 (0.82) | SLC1A3SLC1A2SLC1A1MMP9MMP2 |
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-1412322-A2 | PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONE AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | Schering Aktiengesellschaft (DE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003014063-A2 | PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONE AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | disclosed |