Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 7/20 | 0.34 |
| ▸ | HTR7 | P34969 | 7/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL115569 | 0.90 | HTR1A (0.38) | HTR1AHTR7NPSR1GAAKCNH2 | |
| SCHEMBL113317 | 0.88 | DHFR (0.35) | DHFRHTR1AHTR7MAPK1ALDH1A1 | |
| SCHEMBL114800 | 0.88 | DHFR (0.35) | DHFRNPSR1GAAMAPK1ALDH1A1 | |
| SCHEMBL114932 | 0.87 | DHFR (0.35) | DHFRHTR1AHTR7MAPK1ALDH1A1 | |
| SCHEMBL114773 | 0.87 | OGA (0.34) | DHFRHTR1ACYP3A4KCNH2MEN1 | |
| SCHEMBL112867 | 0.87 | DHFR (0.41) | DHFRHTR1AHTR7ALDH1A1HSD17B10 | |
| SCHEMBL113706 | 0.86 | PTGS2 (0.33) | DHFRHTR1AHTR7NPSR1GAA | |
| SCHEMBL116262 | 0.86 | CXCR3 (0.35) | DHFRHTR1AHTR7SCN9ANPSR1 | |
| SCHEMBL113518 | 0.85 | ALDH1A1 (0.33) | DHFRGAAALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL115607 | 0.85 | HTR1A (0.37) | DHFRHTR1AHTR7NPSR1MAPK1 |
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 |