Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL9806688 | 0.81 | FDPS (0.46) | CYP1A2S1PR1S1PR3S1PR5 | |
| SCHEMBL9806692 | 0.76 | FDPS (0.44) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL7860170 | 0.75 | GFER (0.39) | CHRNB2CHRNA4KCNH2 | |
| SCHEMBL8711817 | 0.75 | CYP1A2 (0.41) | CYP1A2S1PR1S1PR3S1PR5 | |
| SCHEMBL21509270 | 0.70 | CYP1A2 (0.48) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL13333879 | 0.70 | CYP1A2 (0.48) | CYP1A2CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL7858744 | 0.69 | CA12 (0.42) | CYP1A2ARG1ARG2DRD1HTR2A | |
| SCHEMBL14097727 | 0.69 | CYP1A2 (0.52) | CYP1A2 | |
| SCHEMBL14097728 | 0.69 | CYP1A2 (0.52) | CYP1A2 | |
| SCHEMBL10190928 | 0.69 | CYP1A2 (0.52) | CYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0788362-B1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 2001-07-25 | — | — | EP | disclosed |
| CN-1048017-C | Phosphonocarboxylate compounds and pharmaceutical compositions containing the same | PROCTER & GAMBLE PHARMA (US) | 2000-01-05 | — | — | CN | disclosed |
| CN-1230409-A | Phosphonocarboxylate compounds and pharmaceutical compositions containing the same | PROCTER & GAMBLE PHARMA (US) | 1999-10-06 | — | — | CN | disclosed |
| CN-1224018-A | Phosphonic carboxylate compounds, pharmaceutical compositions contg. same | PROCTER & GAMBLE PHARMA (US) | 1999-07-28 | — | — | CN | disclosed |
| US-5760021-A | TREATING OR PREVENTING METABOLIC BONE DISORDERS | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0788362-A1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1997-08-13 | — | — | EP | disclosed |
| CN-1089613-A | Phosphonocarboxylate compounds and pharmaceutical compositions containing the same | PROCTER & GAMBLE PHARMA (US) | 1994-07-20 | — | — | CN | disclosed |
| WO-1993024131-A1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |