Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.40 |
| ▸ | POLQ | O75417 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30716907 | 0.85 | NPC1 (0.38) | PGK1GSK3BMAP4K2GAANPC1 | |
| SCHEMBL6607812 | 0.85 | NPC1 (0.38) | PGK1GSK3BMAP4K2GAANPC1 | |
| SCHEMBL12202933 | 0.82 | P2RX3 (0.41) | PGK1POLQGAAMAPTALDH1A1 | |
| SCHEMBL10272827 | 0.81 | ALDH1A1 (0.42) | PGK1GSK3BMAP4K2GAANPC1 | |
| SCHEMBL24529326 | 0.81 | HTR1A (0.43) | PGK1GSK3BMAP4K2GAAMAPT | |
| SCHEMBL20869190 | 0.78 | P2RX3 (0.46) | POLQMAPTALDH1A1L3MBTL1MEN1 | |
| SCHEMBL12090771 | 0.78 | P2RX3 (0.36) | POLQMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL15142051 | 0.78 | GAA (0.42) | GAAALDH1A1HPGDLMNAKDM4E | |
| SCHEMBL10272986 | 0.77 | GAA (0.34) | GAAALDH1A1POLBNPSR1TDP1 | |
| SCHEMBL1581474 | 0.77 | AXL (0.39) | NPC1MAPTL3MBTL1HPGDPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017200825-A1 | FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS | MERCK SHARP & DOHME CORP. (US) | 2017-11-23 | — | — | WO | disclosed |