Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 3/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | CTSV | O60911 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | KIF5B | P33176 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.41 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4108476 | 0.79 | EGFR (0.44) | KITEGFRADORA2ARETKIF5B | |
| SCHEMBL7791033 | 0.78 | ADORA2A (0.61) | KITEGFRADORA2ANSD2ATM | |
| SCHEMBL13975080 | 0.77 | ELANE (0.54) | EGFRELANEKDM1APDPK1NSD2 | |
| SCHEMBL15502326 | 0.76 | ELANE (0.53) | EGFRELANEKDM1APDPK1NSD2 | |
| SCHEMBL7145589 | 0.76 | TRPA1 (0.45) | EGFRELANECTSVCTSLKDM1A | |
| SCHEMBL4421590 | 0.74 | TRPA1 (0.61) | EGFRKDM1ARETKIF5BKDR | |
| SCHEMBL21408242 | 0.73 | MET (0.58) | EGFRKDR | |
| SCHEMBL30216641 | 0.73 | MET (0.58) | EGFRKDR | |
| SCHEMBL7790971 | 0.73 | ADORA2A (0.57) | EGFRADORA2APDPK1ATM | |
| SCHEMBL159652 | 0.73 | KDR (0.80) | KITEGFRRETKIF5BKDR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2613153-A2 | Process for the identification of novel enzyme interacting compounds | Cellzome GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| EP-2613154-A2 | Process for the identification of novel enzyme interacting compounds | Cellzome GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| EP-1891446-B1 | PROCESS FOR THE IDENTIFICATION OF NOVEL ENZYME INTERACTING COMPOUNDS | CELLZOME GMBH (DE) | 2013-04-10 | — | — | EP | disclosed |
| US-20090238808-A1 | Process for the identification of novel enzyme interacting compounds | CELLZOME GMBH (DE) | 2009-09-24 | — | — | US | disclosed |
| EP-1891446-A1 | PROCESS FOR THE IDENTIFICATION OF NOVEL ENZYME INTERACTING COMPOUNDS | CELLZOME AG (DE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006134056-A1 | PROCESS FOR THE IDENTIFICATION OF NOVEL ENZYME INTERACTING COMPOUNDS | CELLZOME AG (DE) | 2006-12-21 | — | — | WO | disclosed |