Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16829633 | 1.00 | NOS3 (0.42) | NOS3NOS2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL15471437 | 0.79 | NOS3 (0.46) | NOS3NOS2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL29423932 | 0.77 | NOS3 (0.41) | NOS3NOS2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL16829687 | 0.77 | NOS3 (0.41) | NOS3NOS2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL15465000 | 0.75 | ADRB2 (0.41) | NOS3NOS2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL19732851 | 0.75 | NOS3 (0.50) | NOS3NOS2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL3021877 | 0.75 | NOS3 (0.46) | NOS3NOS2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL15465117 | 0.75 | ALDH1A1 (0.44) | ALDH1A1GAAL3MBTL1HTR1ANR2E1 | |
| SCHEMBL3149643 | 0.75 | NOS3 (0.48) | NOS3NOS2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL28746485 | 0.75 | L3MBTL1 (0.43) | NOS3NOS2ALDH1A1GAAL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3974413-A1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2022-03-30 | — | — | EP | disclosed |