Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4359582 | 0.86 | ALDH1A1 (0.52) | ALDH1A1PTPN7KDM4EHSD17B10NPSR1 | |
| SCHEMBL4345924 | 0.84 | ALDH1A1 (0.52) | ALDH1A1PTPN7KDM4EHSD17B10NPSR1 | |
| SCHEMBL4342431 | 0.84 | ALDH1A1 (0.52) | ALDH1A1PTPN7KDM4EHSD17B10NPSR1 | |
| SCHEMBL4358426 | 0.83 | ALDH1A1 (0.43) | ALDH1A1PTPN7KDM4EHSD17B10NPSR1 | |
| SCHEMBL4353970 | 0.81 | ALDH1A1 (0.42) | ALDH1A1PTPN7KDM4EHSD17B10NPSR1 | |
| SCHEMBL6226782 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10NPSR1LMNA | |
| SCHEMBL4346935 | 0.78 | ALDH1A1 (0.49) | ALDH1A1PTPN7KDM4EHSD17B10NPSR1 | |
| SCHEMBL6225668 | 0.78 | ALDH1A1 (0.55) | ALDH1A1PTPN7MAPTHTTEPHX2 | |
| SCHEMBL6228224 | 0.78 | EPHX2 (0.47) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL27519540 | 0.77 | ALDH1A1 (0.82) | ALDH1A1PTPN7KDM4EHSD17B10NPSR1 |
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 4 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 |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |