Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16829687 | 1.00 | NOS3 (0.41) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL15471437 | 0.81 | NOS3 (0.46) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL15465000 | 0.78 | ADRB2 (0.41) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL3021877 | 0.78 | NOS3 (0.46) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL19732851 | 0.78 | NOS3 (0.50) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL3149643 | 0.77 | NOS3 (0.48) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL28746485 | 0.77 | L3MBTL1 (0.43) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL29423940 | 0.77 | NOS3 (0.42) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL16829633 | 0.77 | NOS3 (0.42) | NOS3NOS2NPC1CASP3RAB9A | |
| SCHEMBL15464568 | 0.76 | ADRB2 (0.42) | NOS3NOS2NPC1CASP3RAB9A |
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 |