Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL4346978 | 0.90 | MAPT (0.41) | PTPN1CDC25ACDC25BLMNASMN1; SMN2 | |
| SCHEMBL4345898 | 0.88 | SLC6A4 (0.43) | LMNASMN1; SMN2POLBMAPTCYP2D6 | |
| SCHEMBL4355860 | 0.88 | SMN1; SMN2 (0.39) | SMN1; SMN2POLBMAPTCYP2D6CYP2C9 | |
| SCHEMBL4345579 | 0.87 | MAPT (0.39) | LMNASMN1; SMN2POLBMAPTCYP2D6 | |
| SCHEMBL4351061 | 0.86 | LMNA (0.40) | PTPN1CDC25ACDC25BLMNASMN1; SMN2 | |
| SCHEMBL4351090 | 0.85 | LMNA (0.41) | LMNASMN1; SMN2POLBMAPTCYP2D6 | |
| SCHEMBL4355882 | 0.85 | MEN1 (0.39) | SMN1; SMN2POLBMAPTCYP2D6CYP2C9 | |
| SCHEMBL4349041 | 0.85 | MEN1 (0.50) | LMNAPOLBMAPTCYP2D6CYP2C9 | |
| SCHEMBL4346474 | 0.84 | MAPT (0.39) | LMNAMAPTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6230263 | 0.84 | MAPT (0.37) | PTPN1CDC25ACDC25BLMNASMN1; SMN2 |
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 |