Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27491679 | 0.85 | PTGS1 (0.36) | PTGS1 | |
| SCHEMBL27511308 | 0.82 | KMT2A (0.41) | — | |
| SCHEMBL27509845 | 0.82 | KMT2A (0.41) | — | |
| SCHEMBL6290812 | 0.74 | KMT2A (0.44) | ALOX5 | |
| SCHEMBL7006701 | 0.73 | ALOX5 (0.41) | ALOX5 | |
| SCHEMBL6294039 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL7006366 | 0.71 | KMT2A (0.38) | ALOX5 | |
| SCHEMBL6294501 | 0.71 | KCNK3 (0.48) | — | |
| Ethoxycarbonyl Group SCHEMBL27490984 | 0.71 | GABRA1 (0.39) | — | |
| SCHEMBL7013150 | 0.69 | KMT2A (0.40) | ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1206230-C | 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy | MERCKLE GMBH (DE) | 2005-06-15 | — | — | CN | disclosed |
| CN-1396923-A | 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy | MERCKLE GMBH (DE) | 2003-02-12 | — | — | CN | disclosed |