Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345924 | 0.88 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EHSD17B10HTT | |
| SCHEMBL27761078 | 0.82 | EPHX2 (0.51) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL4347100 | 0.82 | MEN1 (0.42) | ALDH1A1MAPTKDM4EHSD17B10HTT | |
| SCHEMBL4351157 | 0.81 | EPHX2 (0.56) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL6230978 | 0.80 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EHSD17B10HTT | |
| SCHEMBL4358300 | 0.78 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EHSD17B10HTT | |
| SCHEMBL6225191 | 0.77 | EPHX2 (0.46) | ALDH1A1MAPTMEN1KMT2AEPHX2 | |
| SCHEMBL4349474 | 0.76 | EPHX1 (0.58) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL4342431 | 0.76 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EHSD17B10HTT | |
| SCHEMBL4351702 | 0.76 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EHSD17B10HTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-1539683-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | Jerini AG (DE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| WO-2004026815-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | JERINI AG (DE) | 2004-04-01 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |