Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | NPY2R | P49146 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL113054 | 0.90 | TNIK (0.34) | DHFRABL1TNIKALDH1A1MAPK7 | |
| SCHEMBL114717 | 0.90 | ABL1 (0.34) | DHFRABL1TNIKTSHRCXCR3 | |
| SCHEMBL114268 | 0.89 | CXCR3 (0.40) | DHFRHTR1AHTR7TSHRPIK3CA | |
| SCHEMBL113998 | 0.85 | AOC3 (0.39) | TNIKPIK3CALRRK2 | |
| SCHEMBL114135 | 0.80 | CXCR3 (0.41) | HTR1AHTR7ALDH1A1CXCR3TNK2 | |
| SCHEMBL113245 | 0.80 | AGER (0.36) | DHFRABL1HTR1AHTR7CYP1A2 | |
| SCHEMBL113540 | 0.79 | CXCR3 (0.40) | DHFRHTR1AHTR7TSHRALDH1A1 | |
| SCHEMBL115477 | 0.79 | CXCR3 (0.42) | DHFRHTR1AHTR7TSHRCXCR3 | |
| SCHEMBL115324 | 0.78 | KCNH2 (0.41) | SCDHTR1AHTR7PIK3CACXCR3 | |
| SCHEMBL114798 | 0.78 | KDR (0.38) | DHFRTNIK |
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 |