Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | WDR5 | P61964 | 5/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL113998 | 0.90 | AOC3 (0.39) | WDR5TNIK | |
| SCHEMBL114006 | 0.87 | SLC6A9 (0.33) | KDM4ECYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL114798 | 0.87 | KDR (0.38) | KDM4ECYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL112035 | 0.87 | CNR2 (0.42) | KDM4ESMN1; SMN2WDR5TSHR | |
| SCHEMBL114717 | 0.86 | ABL1 (0.34) | KDM4ECYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL113815 | 0.86 | KDM4E (0.33) | KDM4ECYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL113125 | 0.80 | CXCR3 (0.40) | KDM4EALDH1A1TSHRNPSR1 | |
| SCHEMBL114041 | 0.80 | CXCR3 (0.39) | KDM4EALDH1A1TSHRGAANPSR1 | |
| SCHEMBL113141 | 0.79 | CXCR3 (0.38) | WDR5 | |
| SCHEMBL114405 | 0.78 | CXCR3 (0.39) | CYP2C9LMNAALDH1A1TSHR |
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 |