Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14591098 | 0.82 | EPHX1 (0.53) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL15426320 | 0.82 | EPHX1 (0.53) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL6648151 | 0.75 | EPHX1 (0.53) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL20394045 | 0.71 | CYP1A2 (0.52) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL13248648 | 0.71 | ALPI (0.44) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL27503896 | 0.71 | EPHX1 (0.49) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL66965 | 0.71 | CYP1A2 (0.55) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL15426321 | 0.71 | CYP1A2 (0.55) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL19787829 | 0.71 | TRPA1 (0.45) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL12650596 | 0.69 | ALPI (0.50) | ALPIPKMPTGS1XIAPSLC7A5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046755-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. Hoffmann-Roche AG (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008012227-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-31 | — | — | WO | disclosed |