Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6226736 | 0.90 | MEN1 (0.41) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4348016 | 0.89 | MEN1 (0.41) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4342244 | 0.89 | MEN1 (0.50) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4349840 | 0.88 | SLC6A4 (0.48) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4351063 | 0.88 | SMN1; SMN2 (0.43) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4355882 | 0.88 | MEN1 (0.39) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4348911 | 0.88 | MEN1 (0.39) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4345390 | 0.88 | MAPT (0.51) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4349243 | 0.86 | MAPT (0.46) | MEN1KMT2AL3MBTL1MAPTATM | |
| SCHEMBL4354940 | 0.86 | SLC6A4 (0.52) | MEN1KMT2AL3MBTL1MAPTATM |
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 |