Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | UBE2N | P61088 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 4/20 | 0.35 |
| ▸ | RAF1 | P04049 | 5/20 | 0.35 |
| ▸ | BRAF | P15056 | 5/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | NMT1 | P30419 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL113717 | 0.86 | CNR2 (0.39) | MTORSCN9APIK3CA | |
| SCHEMBL112867 | 0.84 | DHFR (0.41) | — | |
| SCHEMBL113904 | 0.78 | AOC3 (0.38) | — | |
| SCHEMBL113706 | 0.78 | PTGS2 (0.33) | KDM4E | |
| SCHEMBL114800 | 0.78 | DHFR (0.35) | — | |
| SCHEMBL114639 | 0.77 | CNR2 (0.39) | PIK3CDMTORPIK3CA | |
| SCHEMBL3729673 | 0.77 | CXCR3 (0.48) | KDM4E | |
| SCHEMBL115569 | 0.76 | HTR1A (0.38) | PIK3CA | |
| SCHEMBL113518 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL115691 | 0.75 | SMN1; SMN2 (0.33) | KDM4EL3MBTL1MTORPRKDCPIK3CA |
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-2424840-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |