Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9726551 | 1.00 | HMGCR (0.47) | HMGCRCYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL9726546 | 1.00 | HMGCR (0.47) | HMGCRCYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL9726629 | 0.88 | HMGCR (0.57) | HMGCR | |
| SCHEMBL9726625 | 0.88 | HMGCR (0.57) | HMGCR | |
| SCHEMBL9726618 | 0.88 | HMGCR (0.57) | HMGCR | |
| SCHEMBL9726803 | 0.88 | HMGCR (0.44) | HMGCRCYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL9726795 | 0.88 | HMGCR (0.44) | HMGCRCYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL9726791 | 0.88 | HMGCR (0.44) | HMGCRCYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL9726765 | 0.87 | HMGCR (0.54) | HMGCRALDH1A1 | |
| SCHEMBL9799350 | 0.87 | HMGCR (0.54) | HMGCRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |