Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 6/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL113658 | 0.92 | CXCR3 (0.36) | CXCR3KCNH2HPGDSALDH1A1TSHR | |
| SCHEMBL114268 | 0.90 | CXCR3 (0.40) | CXCR3KCNH2TSHRUSP2DHFR | |
| SCHEMBL114135 | 0.88 | CXCR3 (0.41) | CXCR3KCNH2ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL115477 | 0.88 | CXCR3 (0.42) | CXCR3KCNH2TSHRUSP2DHFR | |
| SCHEMBL115833 | 0.86 | CXCR3 (0.41) | CXCR3KCNH2DHFR | |
| SCHEMBL113252 | 0.85 | CXCR3 (0.41) | CXCR3KCNH2DHFRHTR7 | |
| SCHEMBL113986 | 0.84 | CXCR3 (0.40) | CXCR3KCNH2ALDH1A1DHFRHTR7 | |
| SCHEMBL113125 | 0.84 | CXCR3 (0.40) | CXCR3KCNH2ALDH1A1TSHRMAPK1 | |
| SCHEMBL113545 | 0.84 | CXCR3 (0.42) | CXCR3KCNH2DHFRHTR7 | |
| SCHEMBL114041 | 0.84 | CXCR3 (0.39) | CXCR3KCNH2ALDH1A1TSHRMAPK1 |
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 |