Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 4/20 | 0.37 |
| ▸ | TGM2 | P21980 | 2/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.33 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.33 |
| ▸ | PLK4 | O00444 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | PRKCA | P17252 | 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 | |
|---|---|---|---|---|
| SCHEMBL30741210 | 0.71 | CES1 (0.50) | CES1TGM2RAF1CSNK2A1MEN1 | |
| SCHEMBL2059124 | 0.71 | CES1 (0.50) | CES1TGM2RAF1CSNK2A1MEN1 | |
| SCHEMBL2331366 | 0.70 | PDPK1 (0.54) | PDPK1CES1TGM2LRRK2AURKA | |
| SCHEMBL2292542 | 0.69 | TXNRD1 (0.50) | CYP1A2AURKACYP1A1CDC25BTXNRD1 | |
| SCHEMBL5738366 | 0.68 | CES1 (0.67) | CES1TGM2LRRK2CHEK1MEN1 | |
| SCHEMBL13424915 | 0.67 | AURKA (0.44) | AURKANTRK1MEN1HPGDAPEX1 | |
| SCHEMBL7795435 | 0.65 | TDP2 (0.53) | PDPK1CES1TGM2CDK2LRRK2 | |
| SCHEMBL361051 | 0.65 | PIM1 (0.41) | CDK2CYP1A2AURKACYP1A1CDC25B | |
| SCHEMBL6917819 | 0.60 | PDPK1 (0.49) | PDPK1CES1TGM2LRRK2AURKA | |
| SCHEMBL3581495 | 0.60 | KDM4E (0.50) | CHEK1EGFRPRKCARAF1CSNK2A1 |
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-2355825-A2 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Schering Corporation (US) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010054278-A2 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2010-05-14 | — | — | WO | disclosed |