Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL113125 | 0.94 | CXCR3 (0.40) | CXCR3KCNH2TNKSMAPTMAPK1 | |
| SCHEMBL114041 | 0.93 | CXCR3 (0.39) | CXCR3KCNH2TNKSMAPTMAPK1 | |
| SCHEMBL112035 | 0.91 | CNR2 (0.42) | CXCR3KCNH2AOC3TSHRHSD17B10 | |
| SCHEMBL113141 | 0.90 | CXCR3 (0.38) | CXCR3KCNH2TNKSMAPTHTR1A | |
| SCHEMBL115477 | 0.89 | CXCR3 (0.42) | CXCR3KCNH2MAPTHTR1AUSP2 | |
| SCHEMBL114718 | 0.89 | CXCR3 (0.39) | CXCR3KCNH2TNKSTNK2F10 | |
| SCHEMBL114021 | 0.89 | CXCR3 (0.37) | CXCR3KCNH2HDAC3HDAC4HDAC1 | |
| SCHEMBL114565 | 0.88 | CXCR3 (0.36) | CXCR3KCNH2TNKSEGFRHDAC3 | |
| SCHEMBL115833 | 0.88 | CXCR3 (0.41) | CXCR3KCNH2 | |
| SCHEMBL111097 | 0.88 | CXCR3 (0.37) | CXCR3KCNH2KMT2AHTR1AMEN1 |
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 |