Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | GRM2 | Q14416 | 11/20 | 0.66 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.64 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7597659 | 0.83 | GRM2 (0.75) | TDP1GRM2SLC9A1PTK2CYP2C9 | |
| SCHEMBL9303448 | 0.82 | PTK2 (0.72) | TDP1GRM2SLC9A1PTK2 | |
| SCHEMBL9305191 | 0.80 | GAA (0.66) | TDP1GRM2SLC9A1PTK2KCNMA1 | |
| SCHEMBL30368818 | 0.80 | GAA (0.66) | TDP1GRM2SLC9A1PTK2KCNMA1 | |
| SCHEMBL2734889 | 0.79 | GRM2 (1.00) | TDP1GRM2SLC9A1PTK2KCNMA1 | |
| SCHEMBL9303187 | 0.76 | KCNMA1 (0.67) | TDP1GRM2SLC9A1PTK2KCNMA1 | |
| SCHEMBL28345673 | 0.76 | GRM2 (0.75) | TDP1GRM2SLC9A1PTK2KCNMA1 | |
| SCHEMBL22000732 | 0.76 | GRM2 (0.75) | TDP1GRM2SLC9A1PTK2KCNMA1 | |
| SCHEMBL16398499 | 0.76 | GRM2 (0.75) | TDP1GRM2SLC9A1KCNMA1 | |
| SCHEMBL7599503 | 0.76 | SLC9A1 (0.69) | TDP1GRM2SLC9A1PTK2CYP2C9 |
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 |