Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL8883960 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HSD11B1CES2CES1TSHR | |
| SCHEMBL9740740 | 0.83 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL28617884 | 0.78 | — | — | |
| SCHEMBL30756 | 0.78 | — | — | |
| SCHEMBL231284 | 0.78 | — | — | |
| SCHEMBL31602113 | 0.78 | — | — | |
| SCHEMBL7178533 | 0.78 | — | — | |
| SCHEMBL1943583 | 0.78 | ALDH1A1 (0.89) | ALDH1A1TSHRSLC18A3NOS2 | |
| Bicarbonate SCHEMBL5612384 | 0.76 | ALDH1A1 (0.57) | ALDH1A1HSD11B1CES2CES1TSHR | |
| Methyl Alcohol SCHEMBL9858726 | 0.74 | ALDH1A1 (0.67) | ALDH1A1HSD11B1CES2CES1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4687768-A | OSTEOPOROSIS, ARTHRITIS | THE PROCTER & GAMBLE COMPANY (US) | 1987-08-18 | — | — | US | claimed |
| US-5104863-A | Certain bicycloalkane and azabicycloalkane-1,1-diphosphonic acid derivatives useful for treating diseases associated with abnormal calcium and phosphate metabolism | THE PROCTER & GAMBLE COMPANY (US) | 1992-04-14 | — | — | US | disclosed |
| US-4939131-A | Certain cycloalkane-1,1-diphosphonic acids and derivatives thereof having the ability to treat diseases associated with abnormal calcium and phosphate metabolism | THE PROCTER & GAMBLE COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| EP-0189662-B1 | NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1989-09-06 | — | — | EP | disclosed |
| EP-0304962-A2 | Novel diphosphonates and use thereof in pharmaceutical compositions | THE PROCTER & GAMBLE COMPANY (US) | 1989-03-01 | — | — | EP | disclosed |
| EP-0304961-A2 | Novel diphosphonates and use thereof in pharmaceutical compositions | THE PROCTER & GAMBLE COMPANY (US) | 1989-03-01 | — | — | EP | disclosed |
| US-4687768-A | OSTEOPOROSIS, ARTHRITIS | THE PROCTER & GAMBLE COMPANY (US) | 1987-08-18 | — | — | US | disclosed |
| EP-0189662-A1 | Novel diphosphonates and use thereof in pharmaceutical compositions | THE PROCTER & GAMBLE COMPANY (US) | 1986-08-06 | — | — | EP | disclosed |