Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.61 |
| ▸ | BACE1 | P56817 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 5/20 | 0.57 |
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CA9 | Q16790 | 5/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14503940 | 0.90 | PTGS2 (0.62) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14503891 | 0.90 | NPSR1 (0.64) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14503266 | 0.89 | PTGS2 (0.57) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14503352 | 0.89 | PTGS2 (0.57) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14505181 | 0.87 | PTGS2 (0.58) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14504946 | 0.87 | PTGS2 (0.58) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14503345 | 0.86 | PTGS2 (0.54) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14503931 | 0.86 | PTGS2 (0.54) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14505000 | 0.86 | PTGS2 (0.54) | PTGS2BACE1CA12CA1CA2 | |
| SCHEMBL14505104 | 0.85 | BACE1 (0.60) | PTGS2BACE1CA12CA1CA2 |
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 |