Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL113953 | 0.76 | HTR7 (0.64) | HTR7HTR1A | |
| SCHEMBL28788981 | 0.70 | FYN (0.59) | ALDH1A1CYP1A2CYP3A4HSD17B10FYN | |
| SCHEMBL109888 | 0.69 | CKS1B (0.53) | PIK3CA | |
| SCHEMBL16225052 | 0.68 | ALOX5AP (0.49) | ALDH1A1CYP1A2HSD17B10FYNALOX5AP | |
| SCHEMBL26874446 | 0.67 | FYN (0.46) | SCN9ACYP1A2CYP3A4FYNALOX5AP | |
| SCHEMBL24783739 | 0.65 | S1PR1 (0.43) | SCN9AFYNALOX5APFEN1DHFR | |
| SCHEMBL3842255 | 0.62 | CHRNA7 (0.46) | — | |
| SCHEMBL23432833 | 0.62 | GPR52 (0.37) | SCN9AFYNPDE9ADHFR | |
| SCHEMBL16520805 | 0.62 | SCN9A (0.48) | SCN9A | |
| SCHEMBL2039605 | 0.60 | FYN (0.40) | FYNALOX5APFEN1FFAR2PIK3CA |
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 |