Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 10/20 | 0.98 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.98 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.98 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.98 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.98 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.98 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.98 |
| ▸ | RHOC | P08134 | 1/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.98 |
| ▸ | THRB | P10828 | 1/20 | 0.98 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.98 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.98 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.86 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.86 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.86 |
| ▸ | PDE6D | O43924 | 3/20 | 0.76 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.57 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6769237 | 1.00 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL6761283 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL4201645 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL21637576 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3056792 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL8257670 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL465015 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL13900412 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3831 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | claimed |
| CN-111184717-A | Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof | 黄泳华 | 2020-05-22 | — | — | CN | claimed |
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | disclosed |
| CN-111184717-A | Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof | 黄泳华 | 2020-05-22 | — | — | CN | disclosed |