Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 12/20 | 0.40 |
| ▸ | NOS3 | P29474 | 8/20 | 0.40 |
| ▸ | NOS1 | P29475 | 7/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
| ▸ | PDXK | O00764 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31256111 | 0.80 | NOS2 (0.34) | NOS2NOS3NOS1 | |
| SCHEMBL8328225 | 0.79 | BACE1 (0.41) | NOS2NOS3NOS1BACE1REN | |
| SCHEMBL20663167 | 0.77 | NOS2 (0.33) | NOS2NOS3NOS1BACE1PRMT5 | |
| SCHEMBL26660403 | 0.76 | BACE1 (0.44) | NOS2NOS3NOS1BACE1 | |
| SCHEMBL7115996 | 0.75 | PDXK (0.30) | PDXK | |
| SCHEMBL21632441 | 0.71 | NOS2 (0.44) | NOS2NOS3NOS1BACE1REN | |
| SCHEMBL3673476 | 0.70 | NOS2 (0.48) | NOS2NOS3NOS1BACE1REN | |
| SCHEMBL5758060 | 0.70 | NOS2 (0.48) | NOS2NOS3NOS1BACE1REN | |
| SCHEMBL9284246 | 0.70 | KDM4E (0.40) | PDXK | |
| SCHEMBL31256219 | 0.70 | — | — |
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-5972975-A | Substituted 2-aminopyridines as inhibitors of nitric oxide synthase | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | claimed |
| WO-1996018616-A1 | SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-06-20 | — | — | WO | claimed |
| CN-108950645-B | Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent | 上海铝通化学科技有限公司 | 2020-10-23 | — | — | CN | disclosed |
| WO-2003013523-A1 | SH3 PROTEIN DOMAINS AND THEIR LIGANDS | ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) | 2003-02-20 | — | — | WO | disclosed |
| US-5972975-A | Substituted 2-aminopyridines as inhibitors of nitric oxide synthase | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1996018616-A1 | SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-06-20 | — | — | WO | disclosed |