Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 14/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077261 | 0.92 | CXCR3 (0.51) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL3739598 | 0.89 | CXCR3 (0.58) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL113539 | 0.89 | CXCR3 (0.51) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL113534 | 0.89 | CXCR3 (0.51) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL114092 | 0.89 | CXCR3 (0.51) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL161972 | 0.89 | CXCR3 (0.53) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL115528 | 0.88 | CXCR3 (0.52) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL3728113 | 0.88 | CXCR3 (0.50) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL113362 | 0.88 | CXCR3 (0.50) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 | |
| SCHEMBL114186 | 0.88 | CXCR3 (0.52) | CXCR3SMN1; SMN2ALDH1A1MAPTKCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |