Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 2/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.34 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9633336 | 0.85 | CYP4F2 (0.44) | HMGCRLPLLIPGCYP4F2CYP4A11 | |
| SCHEMBL9634094 | 0.83 | PPARG (0.41) | — | |
| SCHEMBL9634087 | 0.83 | PPARG (0.41) | — | |
| SCHEMBL9632567 | 0.79 | GRIN2D (0.35) | LPLLIPGTBXAS1ALDH1A1HPGD | |
| SCHEMBL9633674 | 0.75 | KEAP1 (0.52) | LIPGLTB4RLTB4R2ALDH1A1 | |
| SCHEMBL1554030 | 0.75 | SLC9A1 (0.48) | SLC9A1SLC9A3SLC9A2ALDH1A1 | |
| SCHEMBL9455027 | 0.75 | SLC9A1 (0.41) | CYP4F2CYP4A11SLC9A1SLC9A3SLC9A2 | |
| SCHEMBL1680752 | 0.75 | NOS1 (0.49) | SLC9A1SLC9A3SLC9A2NOS1ALDH1A1 | |
| SCHEMBL9631998 | 0.75 | S1PR1 (0.37) | — | |
| SCHEMBL8623062 | 0.75 | RARB (0.37) | TBXAS1ALDH1A1HSD17B10 |
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-0513761-A2 | Bisphosphonate squalene synthetase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1992-11-19 | — | — | EP | disclosed |
| US-5157027-A | Anticholesterol agents | E. R. SQUIBB & SONS, INC. (US) | 1992-10-20 | — | — | US | disclosed |