Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347648 | 0.90 | GAA (0.38) | HDAC6KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL4349188 | 0.88 | HDAC6 (0.40) | HDAC6KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL4346534 | 0.88 | KDM4E (0.40) | HDAC6KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL12846508 | 0.87 | HDAC6 (0.41) | HDAC6KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL4343906 | 0.85 | NOX4 (0.54) | HDAC6KMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL4347133 | 0.84 | KMT2A (0.51) | KMT2AMEN1KDM4EALDH1A1NPC1 | |
| SCHEMBL4347685 | 0.84 | EGFR (0.47) | HDAC6KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL6227080 | 0.84 | GAA (0.36) | HDAC6KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL4344502 | 0.83 | MEN1 (0.43) | KMT2AMEN1KDM4EALDH1A1HTT | |
| SCHEMBL4349874 | 0.82 | GAA (0.33) | HDAC6KMT2AMEN1KDM4EALDH1A1 |
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 |