Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 5/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3732700 | 0.79 | CXCR3 (0.58) | CXCR3KCNH2DPP4HTR1ADRD2 | |
| SCHEMBL3732864 | 0.77 | KMT2A (0.71) | CXCR3KCNH2DPP4MAPTMEN1 | |
| SCHEMBL3735517 | 0.77 | ALDH1A1 (0.64) | CXCR3KCNH2DPP4HTR1ADRD2 | |
| SCHEMBL31285850 | 0.75 | KMT2A (0.42) | MAPTMEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL8793695 | 0.75 | KMT2A (0.42) | MAPTMEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL5238054 | 0.74 | HTR1A (0.57) | CXCR3KCNH2DPP4HTR1ADRD2 | |
| SCHEMBL112559 | 0.73 | CXCR3 (1.00) | CXCR3KCNH2DPP4HTR1ADRD2 | |
| SCHEMBL3732859 | 0.72 | CXCR3 (0.52) | CXCR3KCNH2DPP4HTR1ADRD2 | |
| SCHEMBL3736567 | 0.72 | CXCR3 (0.52) | CXCR3KCNH2DPP4HTR1AHTR7 | |
| SCHEMBL13039596 | 0.71 | CXCR3 (0.68) | CXCR3KCNH2DPP4HTR1ADRD2 |
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 |