Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347748 | 0.89 | LMNA (0.41) | GAAMAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL4347685 | 0.87 | EGFR (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4341996 | 0.85 | MAPT (0.39) | GAAPKMMAPTALDH1A1KDM4E | |
| SCHEMBL4345667 | 0.83 | ALDH3A1 (0.50) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4349134 | 0.82 | ALDH3A1 (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4346299 | 0.82 | MAPT (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4345574 | 0.82 | ALDH1A1 (0.49) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4342105 | 0.82 | ALDH3A1 (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4349188 | 0.82 | HDAC6 (0.40) | MAPTALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4345358 | 0.80 | MAPT (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 |
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 6 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 |
| EP-1539683-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | Jerini AG (DE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| WO-2004026815-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | JERINI AG (DE) | 2004-04-01 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |