Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.42 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345667 | 0.92 | ALDH3A1 (0.50) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4349134 | 0.91 | ALDH3A1 (0.47) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4345358 | 0.90 | MAPT (0.47) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4346299 | 0.90 | MAPT (0.47) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4342105 | 0.90 | ALDH3A1 (0.47) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4342281 | 0.88 | MAPT (0.46) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4346171 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4354120 | 0.87 | GAA (0.51) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4346420 | 0.87 | PDE7A (0.48) | ALDH1A1MAPTALDH3A1POLBGAA | |
| SCHEMBL4347073 | 0.87 | MEN1 (0.49) | ALDH1A1MAPTPOLBGAAPKM |
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 |