Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.70 |
| ▸ | MAPT | P10636 | 4/20 | 0.70 |
| ▸ | THRB | P10828 | 4/20 | 0.70 |
| ▸ | TP53 | P04637 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | BLM | P54132 | 2/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347137 | 0.87 | GAA (0.69) | GAAL3MBTL1MAPTTHRBTP53 | |
| SCHEMBL4348998 | 0.85 | MAPT (0.70) | GAAL3MBTL1MAPTTHRBTP53 | |
| SCHEMBL17653296 | 0.83 | GAA (1.00) | GAAL3MBTL1MAPTTHRBTP53 | |
| SCHEMBL4346964 | 0.80 | MAPT (0.72) | GAAL3MBTL1MAPTTHRBTP53 | |
| SCHEMBL10960775 | 0.79 | CA1 (0.54) | GAAL3MBTL1MAPTTP53MEN1 | |
| Hydrochloric Acid SCHEMBL11798665 | 0.78 | CA1 (0.52) | GAAL3MBTL1MAPTTP53MEN1 | |
| SCHEMBL4357648 | 0.77 | MAPT (0.69) | GAAL3MBTL1MAPTTHRBTP53 | |
| SCHEMBL4359794 | 0.77 | GAA (0.57) | GAAL3MBTL1MAPTTHRBTP53 | |
| SCHEMBL4345493 | 0.76 | GAA (0.60) | GAAL3MBTL1MAPTTHRBTP53 | |
| SCHEMBL19194989 | 0.76 | MAPT (0.76) | GAAL3MBTL1MAPTTHRBTP53 |
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 5 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-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 |