Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 5/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PDE6D | O43924 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9562749 | 1.00 | HMGCR (0.56) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL10434205 | 0.85 | HMGCR (0.57) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL10433924 | 0.85 | HMGCR (0.57) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL9521683 | 0.85 | HMGCR (0.53) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL8846369 | 0.85 | HMGCR (0.53) | HMGCRDPP4ALDH1A1CYP3A4KDM4E | |
| SCHEMBL9562922 | 0.85 | HMGCR (0.56) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL9562801 | 0.81 | HMGCR (0.53) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL8878489 | 0.81 | GCGR (0.43) | HMGCRGCGR | |
| SCHEMBL8878483 | 0.81 | GCGR (0.43) | HMGCRGCGR | |
| SCHEMBL10433897 | 0.81 | HMGCR (0.55) | HMGCRDPP4ALDH1A1CYP3A4PDE6D |
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 |
|---|---|---|---|---|---|---|---|
| US-5202327-A | PHOSPHORUS-CONTAINING HMG-COA REDUCTASE INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| EP-0522431-A1 | Phophorus-containing HMG-COA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1993-01-13 | — | — | EP | disclosed |