Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 7/20 | 0.48 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31720548 | 0.86 | FOLH1 (0.58) | CA1CA2CA9CA5AMEP1B | |
| SCHEMBL25630182 | 0.84 | CA2 (0.50) | CA1CA2CA9CA5AMAOA | |
| SCHEMBL30292408 | 0.80 | CA2 (0.70) | CA1CA2CA9CA5AMAOB | |
| SCHEMBL12459396 | 0.80 | LOXL2 (0.67) | CA1CA2CA9FOLH1POLB | |
| SCHEMBL15899842 | 0.80 | MEP1B (0.47) | PARP1MEP1BFOLH1IDH1KDM1A | |
| SCHEMBL17672270 | 0.79 | PLA2G2A (0.59) | CA1CA2CA9PARP1MEP1B | |
| SCHEMBL24495645 | 0.77 | CA2 (0.55) | CA1CA2CA9CA5APARP1 | |
| SCHEMBL29364575 | 0.77 | LOXL2 (0.66) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL509423 | 0.77 | LOXL2 (0.66) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL2734990 | 0.77 | PRSS1 (0.66) | PARP1MEP1BFOLH1IDH1KDM1A |
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-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 |
| 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 |