Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | IDE | P14735 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL113391 | 0.90 | CHEK1 (0.54) | CHEK1ALDH1A1TLR7TP53NPC1 | |
| SCHEMBL111521 | 0.83 | TRPV1 (0.54) | ALDH1A1MAPTKDM4ELMNALRRK2 | |
| SCHEMBL13075778 | 0.73 | ALDH1A1 (0.49) | ALDH1A1TP53NPC1RAB9AMAPT | |
| SCHEMBL115046 | 0.72 | LMNA (0.58) | ALDH1A1TP53NPC1RAB9AMAPT | |
| SCHEMBL112384 | 0.69 | GAA (0.52) | NPC1RAB9AMAPTKDM4ELMNA | |
| SCHEMBL113246 | 0.68 | GAA (0.52) | NPC1RAB9AMAPTKDM4ELMNA | |
| SCHEMBL111258 | 0.68 | LMNA (0.51) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL113253 | 0.67 | LMNA (0.57) | ALDH1A1TP53NPC1RAB9AMAPT | |
| SCHEMBL112552 | 0.67 | LMNA (0.57) | ALDH1A1TP53NPC1RAB9AMAPT | |
| SCHEMBL111089 | 0.67 | POLB (0.63) | ALDH1A1TP53NPC1RAB9AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424858-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |