Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8712184 | 0.75 | METAP1 (0.33) | S1PR1S1PR3S1PR5ADRA2AS1PR4 | |
| Sulfuric Acid SCHEMBL18173948 | 0.72 | CYP1A2 (0.47) | CYP1A2 | |
| SCHEMBL28252667 | 0.70 | CYP1A2 (0.46) | CYP1A2 | |
| SCHEMBL7269417 | 0.70 | CYP1A2 (0.48) | CYP1A2ADRA2A | |
| SCHEMBL12985779 | 0.69 | CYP1A2 (0.52) | CYP1A2ADRA2A | |
| SCHEMBL12089498 | 0.69 | CYP1A2 (0.52) | CYP1A2ADRA2A | |
| SCHEMBL12090069 | 0.69 | CYP1A2 (0.52) | CYP1A2ADRA2A | |
| SCHEMBL8711817 | 0.69 | CYP1A2 (0.41) | CYP1A2S1PR1S1PR3S1PR5ADRA2A | |
| SCHEMBL24837418 | 0.68 | CYP1A2 (0.52) | CYP1A2ADRA2A | |
| SCHEMBL8712070 | 0.68 | ANPEP (0.52) | ANPEPERAP2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1255501-A | Novel phosphonyl sulfonic ester compound and its medicinal compsns. | PROCTER & GAMBLE PHARMA (US) | 2000-06-07 | — | — | CN | disclosed |
| CN-1229083-A | Novel phosphononosulfonate compounds and its pharmaceutical compositions | PROCTER & GAMBLE PHARMA (US) | 1999-09-22 | — | — | CN | disclosed |
| EP-0642518-B1 | PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 1998-08-05 | — | — | EP | disclosed |
| US-5731299-A | OSTEOPOROSIS; RHEUMATOID ARTHRITIS | THE PROCTER & GAMBLE COMPANY (US) | 1998-03-24 | — | — | US | disclosed |
| EP-0642518-A1 | PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS (US) | 1995-03-15 | — | — | EP | disclosed |
| CN-1087640-A | Novel phosphonosulfonate compounds, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism | PROCTER & GAMBLE PHARMA (US) | 1994-06-08 | — | — | CN | disclosed |
| WO-1993024495-A1 | PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |