Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 12/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL12495092 | 0.79 | PDE5A (1.00) | PDE5AL3MBTL1ATMRXFP1NR3C2 | |
| SCHEMBL5394457 | 0.68 | MEN1 (0.69) | PDE5AMEN1KMT2AL3MBTL1ATM | |
| SCHEMBL12493661 | 0.66 | PDE5A (1.00) | PDE5AMEN1KMT2AL3MBTL1ATM | |
| SCHEMBL16740616 | 0.65 | PRKCZ (0.73) | PDE5AMEN1KMT2A | |
| SCHEMBL1222758 | 0.64 | RXRA (0.58) | — | |
| SCHEMBL11121205 | 0.63 | PDE5A (0.91) | PDE5AMEN1KMT2AL3MBTL1ATM | |
| SCHEMBL11121023 | 0.63 | PDE5A (0.91) | PDE5AMEN1KMT2AL3MBTL1ATM | |
| SCHEMBL11119541 | 0.63 | PDE5A (0.91) | PDE5AMEN1KMT2AL3MBTL1ATM | |
| SCHEMBL16740622 | 0.63 | CA1 (0.63) | PDE5AMEN1KMT2AL3MBTL1ATM | |
| SCHEMBL12494300 | 0.62 | PDE5A (1.00) | PDE5AL3MBTL1ATMRXFP1NR3C2 |
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-2012125884-A1 | DERIVATIVES OF CELECOXIB, USE THEREOF AND PREPARATION THEREOF | SOUTHERN RESEARCH INSTITUTE (US) | 2012-09-20 | — | — | WO | disclosed |