Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10287186 | 0.87 | NPC1 (0.41) | GRM5TP53HDAC1NPC1NFKB1 | |
| SCHEMBL808333 | 0.84 | NPC1 (0.37) | GPBAR1HDAC1HDAC6HDAC8SIGMAR1 | |
| SCHEMBL808235 | 0.82 | HDAC6 (0.34) | HDAC1HDAC6HDAC8SIGMAR1NPC1 | |
| SCHEMBL10287187 | 0.82 | ALDH1A1 (0.45) | TP53HDAC1S1PR1NPC1NFKB1 | |
| SCHEMBL808234 | 0.81 | HDAC6 (0.34) | HDAC1HDAC6HDAC8NPC1RAB9A | |
| SCHEMBL808224 | 0.80 | SIGMAR1 (0.32) | SIGMAR1 | |
| SCHEMBL808211 | 0.80 | RPS6KA2 (0.33) | TP53GPBAR1SIGMAR1NPC1RAB9A | |
| SCHEMBL808221 | 0.79 | SIGMAR1 (0.32) | SIGMAR1 | |
| SCHEMBL808229 | 0.79 | SIGMAR1 (0.32) | SIGMAR1 | |
| SCHEMBL807906 | 0.78 | SMN1; SMN2 (0.40) | TP53GPBAR1NPC1NFKB1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012035023-A1 | TRIAZINE-OXADIAZOLES | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |