Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 8/20 | 0.45 |
| ▸ | TLR2 | O60603 | 1/20 | 0.45 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.45 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18124631 | 0.82 | ERN1 (0.56) | ERN1TLR2TLR1TLR6SRC | |
| SCHEMBL15565633 | 0.78 | ENPP2 (0.44) | AKR1B10AKR1A1AKR1B1 | |
| SCHEMBL15565631 | 0.78 | ENPP2 (0.44) | AKR1B10AKR1A1AKR1B1 | |
| SCHEMBL28289589 | 0.78 | ERN1 (0.50) | ERN1TLR2TLR1TLR6SRC | |
| SCHEMBL9489666 | 0.78 | AKR1B10 (0.48) | AKR1B10AKR1A1AKR1B1ALDH1A1CYP1A2 | |
| SCHEMBL31362059 | 0.77 | ERN1 (0.61) | ERN1TLR2TLR1TLR6SRC | |
| SCHEMBL2988767 | 0.77 | ERN1 (0.61) | ERN1TLR2TLR1TLR6SRC | |
| SCHEMBL10943367 | 0.76 | PIM1 (0.38) | ERN1ALDH1A1LMNACYP1A2KDM4E | |
| SCHEMBL10677181 | 0.76 | IDO1 (0.53) | AKR1B10AKR1A1AKR1B1MCL1ALDH1A1 | |
| SCHEMBL9575279 | 0.76 | IMPDH2 (0.57) | AKR1B10AKR1A1AKR1B1ALDH1A1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4408077-A | 6-(Lower alkoxy)-5-(trifluoromethyl)-1-naphthalenecarboxaldehydes | AYERST, MCKEENA & HARRISON, INC. (CA) | 1983-10-04 | — | — | US | claimed |
| 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 | AKR1B10 28/4885AKR1A1 5/4885AKR1B1 6/4885 |
| US-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | AKR1B1, AKR1A1, AKR1C1 | AKR1B10 8/4885AKR1A1 2/4885AKR1B1 1/4885 |
“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.