Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL280067 | 0.77 | ESR1 (0.40) | ESR1DAORAF1 | |
| SCHEMBL130154 | 0.70 | ESR1 (0.42) | ESR1DAO | |
| SCHEMBL16270669 | 0.68 | DAO (0.36) | ESR1DAORAF1 | |
| SCHEMBL10835481 | 0.68 | ESR1 (0.41) | ESR1DAORAF1 | |
| SCHEMBL1613336 | 0.65 | ESR1 (0.36) | ESR1DAO | |
| SCHEMBL13551463 | 0.63 | ESR1 (0.41) | ESR1DAO | |
| SCHEMBL7402820 | 0.62 | SMN1; SMN2 (0.36) | ESR1 | |
| SCHEMBL9773308 | 0.59 | DAO (0.44) | DAO | |
| SCHEMBL20146991 | 0.59 | — | — | |
| SCHEMBL21720119 | 0.58 | CA1 (0.39) | RAF1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177175-A2 | HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-02-06 | — | — | EP | disclosed |
| US-6200993-B1 | ASTHMA; ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-03-13 | — | — | US | disclosed |
| WO-2000068198-A2 | HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2000-11-16 | — | — | WO | disclosed |