Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.37 |
| ▸ | HTR7 | P34969 | 6/20 | 0.37 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
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 | 0.85 | DHFR (0.35) | HTR1AHTR7DHFRLMNAMAPT | |
| SCHEMBL113412 | 0.84 | DHFR (0.35) | HTR1AHTR7DHFRKCNH2 | |
| SCHEMBL115724 | 0.84 | DHFR (0.33) | HTR1AHTR7DHFRMAPTKCNH2 | |
| SCHEMBL111646 | 0.83 | HTR1A (0.33) | HTR1AHTR7DHFR | |
| SCHEMBL116207 | 0.83 | DHFR (0.33) | HTR1AHTR7DHFRLMNACYP3A4 | |
| SCHEMBL113317 | 0.82 | DHFR (0.35) | HTR1AHTR7DHFRCYP3A4ALDH1A1 | |
| SCHEMBL114932 | 0.81 | DHFR (0.35) | HTR1AHTR7DHFRCYP3A4MEN1 | |
| SCHEMBL114669 | 0.78 | MAPT (0.34) | HTR1AHTR7DHFRLMNAMAPT | |
| SCHEMBL116262 | 0.78 | CXCR3 (0.35) | HTR1AHTR7DHFRCYP3A4NPSR1 | |
| SCHEMBL111928 | 0.76 | FAAH (0.34) | HTR1AHTR7DHFRMEN1KMT2A |
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 |