Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | OGA | O60502 | 4/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HBB | P68871 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL113717 | 0.91 | CNR2 (0.39) | FEN1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL112867 | 0.87 | DHFR (0.41) | HTTALDH1A1TSHRLMNADHFR | |
| SCHEMBL115691 | 0.87 | SMN1; SMN2 (0.33) | OGAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL113579 | 0.87 | SMN1; SMN2 (0.33) | OGAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL114800 | 0.86 | DHFR (0.35) | ALDH1A1TSHRDHFRGAACASP1 | |
| SCHEMBL113266 | 0.86 | DHFR (0.35) | HTTALDH1A1LMNADHFRGAA | |
| SCHEMBL113518 | 0.83 | ALDH1A1 (0.33) | ALDH1A1DHFRGAACASP1DRD2 | |
| SCHEMBL113904 | 0.83 | AOC3 (0.38) | CNR2 | |
| SCHEMBL115569 | 0.82 | HTR1A (0.38) | OGAGAAHTR1AHTR7NPSR1 | |
| SCHEMBL15911247 | 0.82 | SMO (0.34) | OGAALDH1A1KDM4EIRAK4 |
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 |