Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 1/20 | 0.45 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27978827 | 0.83 | CYP2C19 (0.46) | SLC16A3SLC16A1CYP2C19TDP1CRHBP | |
| SCHEMBL1199323 | 0.81 | CYP2C19 (0.53) | SLC16A3SLC16A1CYP2C19CRHBPCRHR2 | |
| SCHEMBL10845500 | 0.81 | SLC16A3 (0.48) | SLC16A3SLC16A1CYP2C19TDP1CRHBP | |
| SCHEMBL24132784 | 0.81 | CYP2C19 (0.43) | CYP2C19TDP1CRHBPCRHR2NR1H2 | |
| SCHEMBL10791087 | 0.80 | BACE1 (0.48) | SLC16A3SLC16A1CYP2C19TDP1CRHBP | |
| SCHEMBL10790440 | 0.79 | ALDH1A1 (0.52) | SLC16A3SLC16A1CYP2C19CRHBPCRHR2 | |
| SCHEMBL10787489 | 0.78 | CYP2C19 (0.53) | SLC16A3SLC16A1CYP2C19CRHBPCRHR2 | |
| SCHEMBL9733725 | 0.77 | ALDH1A1 (0.66) | CYP2C19TDP1CRHBPCRHR2ALDH1A1 | |
| SCHEMBL11792164 | 0.77 | PTGS2 (0.45) | SLC16A3SLC16A1CYP2C19CRHBPCRHR2 | |
| SCHEMBL10787437 | 0.76 | ALDH1A1 (0.50) | SLC16A3SLC16A1CYP2C19CRHBPCRHR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | MERCK PATENT GMBH (DE) | 2003-09-11 | — | — | US | disclosed |
| US-6559185-B2 | Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use | MERCK PATENT GMBH (DE) | 2003-05-06 | — | — | US | disclosed |
| US-20030069312-A1 | Antidiabetic agents | LARDY CLAUDE (FR) | 2003-04-10 | — | — | US | disclosed |
| US-6043281-A | ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-03-28 | — | — | US | disclosed |
| EP-0983226-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GmbH (DE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052906-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GMBH (DE) | 1998-11-26 | — | — | 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 (2 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-20030069312-A1 | Antidiabetic agents | SLC5A1, SLC5A2, GPR119 | SLC16A3 1140/4885SLC16A1 1138/4885CYP2C19 976/4885 |
| US-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | AKR1B1, AKR1A1, AKR1C1 | SLC16A3 3258/4885SLC16A1 3123/4885CYP2C19 612/4885 |
“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.