Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 1.00 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6535129 | 0.87 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL13659627 | 0.85 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL14273054 | 0.78 | PTGS2 (0.79) | PTGS2 | |
| SCHEMBL27044926 | 0.75 | PTGS2 (0.69) | PTGS2 | |
| SCHEMBL7998633 | 0.75 | PTGS2 (0.60) | PTGS2 | |
| SCHEMBL4729843 | 0.75 | PTGS2 (0.68) | PTGS2 | |
| SCHEMBL14273053 | 0.74 | PTGS2 (0.68) | PTGS2 | |
| SCHEMBL942835 | 0.72 | PTGS2 (0.64) | PTGS2 | |
| SCHEMBL5355341 | 0.72 | PTGS2 (0.64) | PTGS2 | |
| SCHEMBL11358657 | 0.72 | PTGS2 (0.82) | PTGS2 |
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-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | claimed |
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |