Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL21433742 | 0.83 | CES2 (0.38) | DRD2TAS1R3TAS1R1HTTMAPT | |
| SCHEMBL6532547 | 0.80 | DRD2 (0.39) | DRD2HTTL3MBTL1ALDH1A1MAPT | |
| SCHEMBL12554693 | 0.80 | CA12 (0.45) | DRD2HTTALDH1A1CA12CA1 | |
| SCHEMBL4196763 | 0.79 | DRD2 (0.39) | DRD2TAS1R3TAS1R1ALDH1A1AR | |
| SCHEMBL20105087 | 0.78 | DRD2 (0.38) | DRD2TAS1R3TAS1R1ALDH1A1MAPT | |
| SCHEMBL17420388 | 0.75 | ALDH1A1 (0.50) | TAS1R3TAS1R1HTTATML3MBTL1 | |
| SCHEMBL30628202 | 0.75 | ALDH1A1 (0.50) | TAS1R3TAS1R1HTTATML3MBTL1 | |
| SCHEMBL2124739 | 0.75 | CES2 (0.55) | TAS1R3TAS1R1HTTATML3MBTL1 | |
| SCHEMBL6511528 | 0.74 | PLOD2 (0.44) | DRD2TAS1R3TAS1R1ALDH1A1MAPT | |
| SCHEMBL9433997 | 0.74 | DRD2 (0.58) | DRD2HTTALDH1A1MAPTPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458066-B1 | FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS | MERCK SHARP & DOHME LLC (US) | 2023-05-03 | — | — | EP | disclosed |
| EP-3458066-A1 | FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS | Merck Sharp & Dohme Corp. (US) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017200825-A1 | FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS | MERCK SHARP & DOHME CORP. (US) | 2017-11-23 | — | — | WO | disclosed |