Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 6/20 | 0.37 |
| ▸ | HTR7 | P34969 | 5/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL113706 | 0.87 | PTGS2 (0.33) | DHFRHTR1AHTR7HTR6HTR2A | |
| SCHEMBL114800 | 0.87 | DHFR (0.35) | DHFRP2RX7ALDH1A1HSD17B10DRD2 | |
| SCHEMBL113266 | 0.87 | DHFR (0.35) | DHFRHTR1AHTR7ALDH1A1HTT | |
| SCHEMBL113717 | 0.85 | CNR2 (0.39) | ALDH1A1HSD17B10KCNH2 | |
| SCHEMBL115569 | 0.85 | HTR1A (0.38) | HTR1AHTR7CXCR3KCNH2 | |
| SCHEMBL113518 | 0.85 | ALDH1A1 (0.33) | DHFRP2RX7ALDH1A1HSD17B10DRD2 | |
| SCHEMBL114774 | 0.84 | LRRK2 (0.39) | — | |
| SCHEMBL115691 | 0.82 | SMN1; SMN2 (0.33) | ALDH1A1KCNH2LMNA | |
| SCHEMBL113579 | 0.82 | SMN1; SMN2 (0.33) | ALDH1A1KCNH2LMNA | |
| SCHEMBL113795 | 0.79 | DHFR (0.38) | DHFRHTR1AHTR7HTR6HTR2A |
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 |