Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 3/20 | 0.69 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.69 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | TDO2 | P48775 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22000732 | 0.83 | GRM2 (0.75) | SLC9A1GRM2PTK2TDP1CYP11B1 | |
| SCHEMBL2734889 | 0.82 | GRM2 (1.00) | SLC9A1GRM2PTK2TDP1ALDH1A1 | |
| SCHEMBL14809085 | 0.82 | PTK2 (0.72) | SLC9A1GRM2PTK2TDP1ALDH1A1 | |
| SCHEMBL9303448 | 0.82 | PTK2 (0.72) | SLC9A1GRM2PTK2TDP1ALDH1A1 | |
| SCHEMBL15338669 | 0.81 | TDP1 (0.67) | SLC9A1GRM2PTK2TDP1RAB9A | |
| SCHEMBL21991433 | 0.81 | HCAR3 (0.54) | SLC9A1GRM2PTK2TDP1ALDH1A1 | |
| SCHEMBL19848239 | 0.80 | GRM2 (0.66) | SLC9A1GRM2PTK2TDP1ALDH1A1 | |
| SCHEMBL19911496 | 0.80 | GRM2 (0.66) | SLC9A1GRM2PTK2TDP1ALDH1A1 | |
| SCHEMBL15906162 | 0.80 | GRM2 (0.52) | SLC9A1GRM2PTK2TDP1NPC1 | |
| SCHEMBL7594126 | 0.78 | GRM2 (0.63) | SLC9A1GRM2PTK2TDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6486142-B2 | A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES | MERCK FROSST CANADA & CO. (CA) | 2002-11-26 | — | — | US | disclosed |
| EP-1244678-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| US-20020058644-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) | MERCK FROSST CANADA LTD. (CA) | 2002-05-16 | — | — | US | disclosed |
| WO-2001046206-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020058644-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) | PPM1B, PTPRO, PTPA | SLC9A1 1138/4885GRM2 1984/4885PTK2 148/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.