Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | BCHE | P06276 | 5/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | PPARD | Q03181 | 3/20 | 0.34 |
| ▸ | PPARA | Q07869 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948598 | 0.94 | ACHE (0.44) | ACHEPTGS2BCHEPPARGPPARA | |
| SCHEMBL6944114 | 0.84 | HTT (0.38) | ACHEPTGS2BCHE | |
| SCHEMBL508188 | 0.80 | PTGS2 (0.50) | ACHEPTGS2BCHEGAAKMT2A | |
| SCHEMBL6952158 | 0.80 | TAAR1 (0.39) | KMT2AALDH1A1MEN1 | |
| SCHEMBL6947233 | 0.79 | BCHE (0.44) | ACHEPTGS2BCHEPPARGPPARD | |
| SCHEMBL9721323 | 0.78 | PTGS2 (0.49) | ACHEPTGS2BCHEGAAKMT2A | |
| SCHEMBL6944045 | 0.77 | MEN1 (0.37) | ACHEPTGS2BCHEPPARGPPARD | |
| SCHEMBL14180221 | 0.75 | ESR1 (0.45) | ACHEPTGS2BCHEPPARGNPC1 | |
| SCHEMBL4738416 | 0.75 | ACHE (0.50) | ACHEPTGS2BCHEPPARGPPARA | |
| SCHEMBL5728655 | 0.74 | ACHE (0.44) | ACHEPTGS2BCHENPC1RAB9A |
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 |