Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573250 | 0.85 | KDM4E (0.42) | KDM4EPKMLMNAALDH1A1GLA | |
| SCHEMBL1573022 | 0.79 | ADORA1 (0.39) | KDM4EPKMALDH1A1SMN1; SMN2PSD | |
| SCHEMBL1572984 | 0.78 | L3MBTL1 (0.45) | KDM4ELMNAALDH1A1HPGDPSD | |
| SCHEMBL6530625 | 0.75 | KDM4E (0.39) | KDM4EPKMLMNAALDH1A1GLA | |
| SCHEMBL27729749 | 0.74 | PSD (0.35) | KDM4EPKMLMNAALDH1A1HPGD | |
| SCHEMBL3397783 | 0.74 | PTGS2 (0.40) | LMNAALDH1A1SMN1; SMN2PSDPTGS1 | |
| SCHEMBL1573094 | 0.74 | PTGS2 (0.57) | PTGS1PTGS2 | |
| SCHEMBL2082760 | 0.73 | PDE4A (0.49) | LMNAPTGS1PTGS2ADORA1 | |
| SCHEMBL1573115 | 0.72 | KDM4E (0.61) | KDM4EPKMLMNAALDH1A1GLA | |
| SCHEMBL27750165 | 0.72 | PTGS2 (0.55) | PTGS1PTGS2 |
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-1542978-A1 | NOVEL BIO-ACTIVE MOLECULES | Orchid Chemicals and Pharmaceuticals Ltd (IN) | 2005-06-22 | — | — | EP | claimed |
| WO-2004009560-A1 | NOVEL BIO-ACTIVE MOLECULES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2004-01-29 | — | — | WO | claimed |