Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OGA | O60502 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.32 |
| ▸ | SRPK1 | Q96SB4 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | TEK | Q02763 | 5/20 | 0.31 |
| ▸ | KDR | P35968 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL113266 | 0.87 | DHFR (0.35) | HTR1ACYP3A4DHFRKCNH2MEN1 | |
| SCHEMBL3742907 | 0.78 | CXCR3 (0.47) | CXCR3KCNH2 | |
| SCHEMBL114932 | 0.78 | DHFR (0.35) | HTR1ACYP3A4DHFRKCNH2MEN1 | |
| SCHEMBL114717 | 0.78 | ABL1 (0.34) | CYP3A4CYP3A5DHFRABL1CXCR3 | |
| SCHEMBL112451 | 0.78 | CXCR3 (0.35) | CYP3A4DHFRABL1CXCR3TSHR | |
| SCHEMBL113317 | 0.77 | DHFR (0.35) | HTR1ACYP3A4DHFRKCNH2 | |
| SCHEMBL115569 | 0.77 | HTR1A (0.38) | OGAHTR1ACXCR3KCNH2 | |
| SCHEMBL15911272 | 0.77 | WDR5 (0.36) | OGAABL1CXCR3KCNH2 | |
| SCHEMBL114800 | 0.75 | DHFR (0.35) | DHFRCXCR3TSHR | |
| SCHEMBL113706 | 0.75 | PTGS2 (0.33) | OGAHTR1ADHFRMEN1MAPT |
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 |