Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | F2 | P00734 | 6/20 | 0.49 |
| ▸ | TMPRSS6 | Q8IU80 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | IDH2 | P48735 | 2/20 | 0.47 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5041380 | 0.86 | CYP2C19 (0.49) | MAPK1TDP1F2GAACYP2C19 | |
| SCHEMBL28335414 | 0.81 | F2 (0.47) | MAPK1TDP1F2TMPRSS6GAA | |
| SCHEMBL2850555 | 0.81 | LMNA (0.53) | MAPK1TDP1F2GAACYP2C19 | |
| SCHEMBL5034887 | 0.79 | CYP2C19 (0.76) | MAPK1TDP1GAACYP2C19MEP1B | |
| SCHEMBL5032650 | 0.79 | CYP19A1 (0.60) | MAPK1TDP1F2IDH2PRSS1 | |
| SCHEMBL30582763 | 0.78 | GAA (0.51) | MAPK1F2GAACYP2C19AKR1C3 | |
| SCHEMBL5032586 | 0.77 | TDP1 (0.50) | MAPK1TDP1F2GAACYP2C19 | |
| SCHEMBL5032437 | 0.77 | HDAC2 (0.73) | MAPK1AKR1C3HDAC2HDAC8HDAC6 | |
| SCHEMBL17838857 | 0.77 | HTR6 (0.49) | MAPK1TDP1IDH2 | |
| SCHEMBL5035328 | 0.76 | ALDH1A1 (0.67) | CYP2C19HDAC2HDAC8HDAC6HTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | claimed |
| EP-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | claimed |
| US-7378417-B2 | Pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-05-27 | — | — | US | disclosed |
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | disclosed |
| EP-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | disclosed |