Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.48 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 3/20 | 0.41 |
| ▸ | FNTB | P49356 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836455 | 0.82 | ALDH1A1 (0.51) | ALDH1A1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL7334843 | 0.81 | HTT (0.42) | ALDH1A1GABBR2GABBR1NPSR1MAPT | |
| SCHEMBL7995142 | 0.80 | ALDH1A1 (0.67) | ALDH1A1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL9541616 | 0.78 | GABBR2 (0.61) | ALDH1A1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL657290 | 0.78 | GABBR2 (0.61) | ALDH1A1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL232194 | 0.77 | F2 (0.59) | ALDH1A1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL3056242 | 0.77 | GABBR2 (0.53) | ALDH1A1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL503819 | 0.76 | GABBR2 (0.76) | GABBR2GABBR1CYP2D6CYP1A2PKM | |
| SCHEMBL12268202 | 0.76 | ALDH1A1 (0.61) | ALDH1A1GABBR2GABBR1MAPTL3MBTL1 | |
| SCHEMBL1811811 | 0.76 | ALDH1A1 (0.61) | ALDH1A1GABBR2GABBR1MAPTL3MBTL1 |
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 7 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 |
| US-5932765-A | REDUCTASE INHIBITORS | MERCK PATENT GESELLSCHAFT MIT (DE) | 1999-08-03 | — | — | US | 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 | ALDH1A1 33/4885GABBR2 3147/4885GABBR1 3056/4885 |
| US-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | AKR1B1, AKR1A1, AKR1C1 | ALDH1A1 63/4885GABBR2 3916/4885GABBR1 3961/4885 |
“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.