Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 5/20 | 0.40 |
| ▸ | PPARA | Q07869 | 5/20 | 0.40 |
| ▸ | PPARD | Q03181 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951557 | 0.94 | ACHE (0.49) | BCHEACHEPTGS2ALDH1A1LMNA | |
| SCHEMBL6948422 | 0.85 | BCHE (0.42) | BCHEACHEPTGS2ALDH1A1LMNA | |
| SCHEMBL6950669 | 0.79 | ACHE (0.40) | BCHEACHEPTGS2ALDH1A1PPARG | |
| SCHEMBL6946512 | 0.79 | PTPRB (0.50) | BCHEACHEPTGS2PTPN1 | |
| SCHEMBL3099777 | 0.78 | LMNA (0.45) | ALDH1A1LMNAMMEPTPN1 | |
| SCHEMBL508188 | 0.78 | PTGS2 (0.50) | BCHEACHEPTGS2GAA | |
| SCHEMBL9721323 | 0.76 | PTGS2 (0.49) | BCHEACHEPTGS2GAA | |
| SCHEMBL9936584 | 0.74 | PTGS2 (0.42) | BCHEACHEPTGS2LMNAPPARG | |
| SCHEMBL9936582 | 0.74 | PTGS2 (0.42) | BCHEACHEPTGS2LMNAPPARG | |
| SCHEMBL14180221 | 0.73 | ESR1 (0.45) | BCHEACHEPTGS2PPARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115729-B1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| EP-1115729-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | Merck Frosst Canada & Co. (CA) | 2001-07-18 | — | — | EP | disclosed |
| US-6174874-B1 | ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE | MERCK FROSST CANADA & CO. (CA) | 2001-01-16 | — | — | US | disclosed |
| WO-2000017211-A1 | PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA & CO. (CA) | 2000-03-30 | — | — | WO | disclosed |