Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9726661 | 0.83 | HMGCR (0.47) | HMGCRHPGDHSD11B1ALDH1A1RAB9A | |
| SCHEMBL9726414 | 0.83 | HMGCR (0.40) | HMGCRHPGDALDH1A1TSHRNPC1 | |
| SCHEMBL9726484 | 0.78 | HMGCR (0.43) | HMGCRHPGDHCAR3HCAR2TSHR | |
| SCHEMBL10610685 | 0.77 | CES2 (0.41) | HMGCRHPGDHCAR3HCAR2HSD11B1 | |
| SCHEMBL9726584 | 0.77 | HMGCR (0.38) | HMGCRTSHRNPC1 | |
| SCHEMBL10426435 | 0.76 | ALDH1A1 (0.47) | HPGDHCAR3HCAR2ALDH1A1 | |
| SCHEMBL10612372 | 0.76 | HMGCR (0.37) | HMGCRHPGDHCAR3HCAR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9726849 | 0.76 | HMGCR (0.37) | HMGCRTSHRNPC1 | |
| SCHEMBL9727161 | 0.74 | HMGCR (0.45) | HMGCRTSHR | |
| SCHEMBL9727162 | 0.74 | HMGCR (0.45) | HMGCRTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5110940-A | Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase | BRISTOL-MYERS COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| US-5068346-A | Anticholesterol agents | BRISTOL-MYERS COMPANY (US) | 1991-11-26 | — | — | US | disclosed |
| US-4897490-A | DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE | BRISTOL-MEYERS COMPANY (US) | 1990-01-30 | — | — | US | disclosed |
| WO-1988006584-A1 | ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS | BRISTOL-MYERS COMPANY (US) | 1988-09-07 | — | — | WO | disclosed |