Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | GFER | P55789 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6227080 | 0.92 | GAA (0.36) | GAAHDAC6KDM4EALDH1A1NPC1 | |
| SCHEMBL4347491 | 0.90 | CTSD (0.40) | GAAHDAC6NPC1HTTRAB9A | |
| SCHEMBL4349874 | 0.90 | GAA (0.33) | GAAHDAC6KDM4EALDH1A1NPC1 | |
| SCHEMBL4358574 | 0.90 | HDAC6 (0.40) | HDAC6KDM4EALDH1A1NPC1LMNA | |
| SCHEMBL4357398 | 0.88 | MEN1 (0.42) | GAAHDAC6KDM4EALDH1A1NPC1 | |
| SCHEMBL4347748 | 0.88 | LMNA (0.41) | GAAHDAC6KDM4EALDH1A1NPC1 | |
| SCHEMBL6223808 | 0.87 | CTSD (0.39) | HDAC6ALDH1A1NPC1HTTRAB9A | |
| SCHEMBL4347116 | 0.87 | GAA (0.43) | GAAKDM4EALDH1A1LMNAGFER | |
| SCHEMBL4344502 | 0.87 | MEN1 (0.43) | GAAKDM4EALDH1A1HPGDHTT | |
| SCHEMBL6230126 | 0.85 | CTSD (0.44) | HDAC6ALDH1A1NPC1LMNAHTT |
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 |