Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | DRD5 | P21918 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20341753 | 0.83 | MAPT (0.41) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL20341740 | 0.82 | NPY5R (0.40) | BACE1CTSDNPY5RALDH1A1FFAR1 | |
| SCHEMBL20341748 | 0.79 | FFAR4 (0.43) | BACE1CTSDNPC1RAB9ANPY5R | |
| SCHEMBL26813630 | 0.79 | NPC1 (0.41) | NPC1RAB9ANPY5RTDP2 | |
| SCHEMBL16798268 | 0.78 | HSD17B1 (0.52) | TDP2 | |
| SCHEMBL1506557 | 0.78 | DRD1 (0.62) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL31028084 | 0.78 | DRD1 (0.62) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL20099176 | 0.78 | MAPK14 (0.44) | NPC1RAB9ANPY5RALDH1A1FFAR1 | |
| SCHEMBL20341751 | 0.76 | HSD17B1 (0.44) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL29292733 | 0.76 | CYP3A4 (0.47) | DRD1DRD2DRD4DRD5DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3076959-B1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2018-07-04 | — | — | EP | disclosed |
| US-9957219-B2 | Antidiabetic bicyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2018-05-01 | — | — | US | disclosed |