Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | ELANE | P08246 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.51 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27694472 | 0.89 | IRAK4 (0.64) | IRAK4ALDH1A1ACHEELANEIDO1 | |
| SCHEMBL20496425 | 0.88 | IRAK4 (0.58) | IRAK4ALDH1A1ACHEELANEIDO1 | |
| SCHEMBL20496480 | 0.88 | IRAK4 (0.58) | IRAK4ALDH1A1ACHEELANEIDO1 | |
| SCHEMBL2094692 | 0.88 | IRAK4 (0.72) | IRAK4ALDH1A1ACHEIDO1TDO2 | |
| SCHEMBL28293902 | 0.86 | IRAK4 (0.70) | IRAK4ALDH1A1ACHEIDO1TDO2 | |
| SCHEMBL104892 | 0.86 | IRAK4 (0.70) | IRAK4ALDH1A1ACHEIDO1TDO2 | |
| SCHEMBL2103513 | 0.84 | IRAK4 (1.00) | IRAK4ALDH1A1ACHEIDO1TDO2 | |
| Bicarbonate SCHEMBL21811920 | 0.84 | IRAK4 (0.68) | IRAK4ALDH1A1ACHEIDO1TDO2 | |
| SCHEMBL16674268 | 0.84 | IRAK4 (0.68) | IRAK4ALDH1A1ACHEIDO1TDO2 | |
| SCHEMBL2094687 | 0.84 | IRAK4 (0.68) | IRAK4ALDH1A1ACHEIDO1TDO2 |
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 | IRAK4 3669/4885ALDH1A1 33/4885ACHE 2312/4885 |
| US-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | AKR1B1, AKR1A1, AKR1C1 | IRAK4 3324/4885ALDH1A1 63/4885ACHE 3021/4885 |
“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.