Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.35 |
| ▸ | CASP7 | P55210 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 5/20 | 0.33 |
| ▸ | HTR7 | P34969 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL113317 | 0.91 | DHFR (0.35) | DHFRCYP1A2HSD17B10ALDH1A1MAPK1 | |
| SCHEMBL113266 | 0.87 | DHFR (0.35) | DHFRCYP1A2HSD17B10MEN1KMT2A | |
| SCHEMBL113412 | 0.81 | DHFR (0.35) | DHFRHTR1AHTR7KCNH2 | |
| SCHEMBL115607 | 0.81 | HTR1A (0.37) | DHFRMEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL114669 | 0.80 | MAPT (0.34) | DHFRHTR1AHTR7SLC2A1SLC2A3 | |
| SCHEMBL115724 | 0.80 | DHFR (0.33) | DHFRHTR1AHTR7KCNH2 | |
| SCHEMBL114773 | 0.78 | OGA (0.34) | DHFRMEN1KMT2ATSHRCYP3A4 | |
| SCHEMBL116207 | 0.78 | DHFR (0.33) | DHFRCYP1A2HSD17B10ALDH1A1MAPK1 | |
| SCHEMBL115569 | 0.77 | HTR1A (0.38) | HTR1AHTR7KCNH2 | |
| SCHEMBL116262 | 0.77 | CXCR3 (0.35) | DHFRCYP1A2HSD17B10ALDH1A1MAPK1 |
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 |