Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.61 |
| ▸ | IDH2 | P48735 | 8/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5380832 | 1.00 | PTGS2 (0.61) | PTGS2IDH2NPC1RAB9ALCK | |
| SCHEMBL5391925 | 0.91 | JAK3 (0.48) | PTGS2IDH2LCKJAK3LMNA | |
| SCHEMBL5375697 | 0.90 | PTGS2 (0.59) | PTGS2NPC1RAB9ALCKJAK3 | |
| SCHEMBL14428606 | 0.90 | PTGS2 (0.59) | PTGS2NPC1RAB9ALCKJAK3 | |
| SCHEMBL5384132 | 0.90 | PTGS2 (0.59) | PTGS2NPC1RAB9ALCKJAK3 | |
| SCHEMBL5391023 | 0.89 | PTGS2 (0.65) | PTGS2NPC1RAB9ANPSR1MAPT | |
| SCHEMBL5391943 | 0.87 | IDH2 (0.51) | PTGS2IDH2NPSR1LMNA | |
| SCHEMBL5391417 | 0.87 | PTGS2 (0.60) | PTGS2NPC1RAB9ANPSR1MAPT | |
| SCHEMBL5384740 | 0.85 | PTGS2 (0.61) | PTGS2NPC1RAB9ANPSR1MAPT | |
| SCHEMBL14533275 | 0.84 | PTGS2 (0.51) | PTGS2IDH2LCKJAK3 |
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-7223759-B2 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-05-29 | — | — | US | disclosed |