Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14504877 | 0.91 | PTGS2 (0.54) | PTGS2NPC1GBA1BACE1CA12 | |
| SCHEMBL14503940 | 0.88 | PTGS2 (0.62) | PTGS2NPC1GBA1BACE1CA12 | |
| SCHEMBL14505000 | 0.88 | PTGS2 (0.54) | PTGS2NPC1GBA1BACE1CA12 | |
| SCHEMBL14505104 | 0.87 | BACE1 (0.60) | PTGS2NPC1BACE1CA12CA1 | |
| SCHEMBL14503352 | 0.86 | PTGS2 (0.57) | PTGS2NPC1GBA1BACE1CA12 | |
| SCHEMBL14503266 | 0.86 | PTGS2 (0.57) | PTGS2NPC1GBA1BACE1CA12 | |
| SCHEMBL5383873 | 0.85 | NPC1 (0.40) | PTGS2NPC1BACE1CA12CA1 | |
| SCHEMBL14503906 | 0.85 | GBA1 (0.56) | PTGS2NPC1GBA1BACE1CA12 | |
| SCHEMBL14503129 | 0.83 | PTGS2 (0.56) | PTGS2NPC1GBA1BACE1CA12 | |
| SCHEMBL14503157 | 0.83 | PTGS2 (0.56) | PTGS2NPC1GBA1BACE1CA12 |
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 2 patents. 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 |
| US-7223759-B2 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-05-29 | — | — | US | disclosed |