Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 7/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | AXL | P30530 | 2/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.49 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10066076 | 0.81 | CYP2A6 (0.59) | CYP2A6RAB9A | |
| SCHEMBL27339880 | 0.81 | MAP4K4 (0.58) | MAP4K4MEN1AXLMKNK2PSIP1 | |
| SCHEMBL30884615 | 0.80 | MAP4K4 (0.71) | MAP4K4MEN1AXLMKNK2PSIP1 | |
| SCHEMBL13015542 | 0.80 | CYP2A6 (0.58) | CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL3975427 | 0.79 | CYP2A6 (0.56) | CYP2A6NOS3NOS1NOS2NPC1 | |
| SCHEMBL31070756 | 0.79 | CYP2A6 (0.56) | CYP2A6MEN1NPC1ALDH1A1KDM4E | |
| SCHEMBL30430026 | 0.79 | MAP4K4 (0.54) | MAP4K4MEN1AXLMKNK2PSIP1 | |
| SCHEMBL15606489 | 0.79 | CYP2A6 (0.56) | CYP2A6MEN1NPC1ALDH1A1KDM4E | |
| SCHEMBL2716198 | 0.79 | MAP4K4 (0.54) | MAP4K4MEN1AXLMKNK2PSIP1 | |
| SCHEMBL1259738 | 0.79 | CYP2A6 (0.56) | CYP2A6MAP4K4PIM1HIPK2IRAK4 |
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-9682958-B2 | Ligands and their preparation | MERCK PATENT GMBH (DE) | 2017-06-20 | — | — | US | disclosed |
| US-9682958-B2 | Ligands and their preparation | MERCK PATENT GMBH (DE) | 2017-06-20 | — | — | US | disclosed |
| US-20150175574-A1 | Ligands And Their Preparation | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | US | disclosed |
| US-20150175574-A1 | Ligands And Their Preparation | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | US | disclosed |
| WO-2014015936-A1 | LIGANDS AND THEIR PREPARATION | MERCK PATENT GMBH (DE) | 2014-01-30 | — | — | WO | disclosed |
| US-6521643-B1 | Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-02-18 | — | — | US | disclosed |
| EP-1157022-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000049015-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-08-24 | — | — | 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-20150175574-A1 | Ligands And Their Preparation | PNMT, DNMT1, DNMT3A | CYP2A6 2487/4885MAP4K4 2813/4885MEN1 678/4885 |
“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.