Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL771719 | 0.90 | S1PR1 (0.48) | ALDH1A1TP53DRD3DRD4OPRK1 | |
| SCHEMBL13887607 | 0.89 | LMNA (0.53) | ALDH1A1OPRK1LMNA | |
| SCHEMBL772308 | 0.86 | S1PR1 (0.47) | ALDH1A1TP53DRD3DRD4OPRK1 | |
| SCHEMBL13887530 | 0.82 | LMNA (0.47) | ALDH1A1LMNA | |
| SCHEMBL20138762 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TP53DRD3DRD4OPRK1 | |
| SCHEMBL772967 | 0.81 | KMT2A (0.45) | ALDH1A1TP53OPRK1LMNA | |
| SCHEMBL773059 | 0.81 | S1PR1 (0.53) | ALDH1A1TP53S1PR1CNR2HSD11B1 | |
| SCHEMBL17227704 | 0.80 | LMNA (0.48) | ALDH1A1TP53OPRK1LMNAPKM | |
| SCHEMBL772194 | 0.77 | S1PR1 (0.51) | S1PR1HSD11B1 | |
| SCHEMBL1406968 | 0.76 | LMNA (0.53) | ALDH1A1OPRK1LMNACNR2 |
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-1725544-B1 | 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-05-27 | — | — | EP | disclosed |