Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL3455998 | 0.96 | NPSR1 (0.53) | TP53ALOX12NPSR1ALDH1A1MEN1 | |
| SCHEMBL3455812 | 0.92 | NPSR1 (0.55) | TP53ALOX12NPSR1ALDH1A1MEN1 | |
| SCHEMBL3456037 | 0.91 | TP53 (0.47) | TP53ALOX12NPSR1ALDH1A1MEN1 | |
| SCHEMBL3455582 | 0.88 | DHODH (0.41) | ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL3455348 | 0.87 | NPSR1 (0.50) | TP53ALOX12NPSR1ALDH1A1MEN1 | |
| SCHEMBL3455921 | 0.87 | TP53 (0.47) | TP53ALOX12NPSR1ALDH1A1MEN1 | |
| SCHEMBL3463266 | 0.84 | HTT (0.41) | ALDH1A1GAA | |
| SCHEMBL3758629 | 0.82 | NPSR1 (0.49) | TP53ALOX12NPSR1ALDH1A1MEN1 | |
| SCHEMBL25767433 | 0.80 | TP53 (0.67) | TP53ALOX12NPSR1ALDH1A1KMT2A | |
| Bicarbonate SCHEMBL3457190 | 0.79 | NPSR1 (0.46) | TP53ALOX12NPSR1ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8202856-B2 | Triazole oxadiazoles derivatives | MERCK SERONO SA (CH) | 2012-06-19 | — | — | US | disclosed |