Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 15/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1835677 | 0.87 | KDM4E (0.52) | MAP3K12HCRTR1HCRTR2 | |
| SCHEMBL1835674 | 0.84 | MAP3K12 (0.49) | MAP3K12HCRTR1HCRTR2KMT2A | |
| SCHEMBL20144969 | 0.82 | HCRTR1 (0.64) | HCRTR1HCRTR2 | |
| SCHEMBL20145041 | 0.82 | HCRTR1 (0.64) | HCRTR1HCRTR2 | |
| SCHEMBL1141302 | 0.82 | MAP3K12 (0.51) | MAP3K12HCRTR1HCRTR2 | |
| SCHEMBL1141304 | 0.82 | MAP3K12 (0.51) | MAP3K12HCRTR1HCRTR2 | |
| SCHEMBL18697648 | 0.81 | HCRTR1 (0.70) | HCRTR1HCRTR2 | |
| SCHEMBL20144838 | 0.81 | HCRTR1 (0.70) | HCRTR1HCRTR2 | |
| SCHEMBL20144954 | 0.79 | HCRTR1 (0.67) | HCRTR1HCRTR2 | |
| SCHEMBL20144938 | 0.79 | HCRTR1 (0.66) | MAP3K12HCRTR1HCRTR2 |
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-2318367-A1 | PIPERIDINE AND PYRROLIDINE COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2011-05-11 | — | — | EP | disclosed |