Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 9/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.36 |
| ▸ | RHOC | P08134 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9773772 | 1.00 | HMGCR (0.40) | HMGCRNR1I2NR4A2PDE4DABCB11 | |
| SCHEMBL9773726 | 0.82 | RIPK3 (0.32) | HMGCRSLCO1B1RXRA | |
| SCHEMBL9773728 | 0.82 | RIPK3 (0.32) | HMGCRSLCO1B1RXRA | |
| SCHEMBL9756772 | 0.81 | HMGCR (0.48) | HMGCRNR1I2NR4A2PDE4DABCB11 | |
| SCHEMBL9773769 | 0.80 | HMGCR (0.41) | HMGCRNR1I2NR4A2PDE4DABCB11 | |
| SCHEMBL9773646 | 0.80 | HMGCR (0.42) | HMGCRNR1I2NR4A2PDE4DABCB11 | |
| SCHEMBL9773648 | 0.80 | HMGCR (0.42) | HMGCRNR1I2NR4A2PDE4DABCB11 | |
| SCHEMBL10650833 | 0.73 | HMGCR (0.46) | HMGCRNR1I2ABCB11RHOCCYP3A4 | |
| SCHEMBL9272012 | 0.72 | NR4A2 (0.47) | HMGCRNR1I2NR4A2PDE4DABCB11 | |
| SCHEMBL9272006 | 0.72 | NR4A2 (0.47) | HMGCRNR1I2NR4A2PDE4DABCB11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4988711-A | HMG-CoA reductare-inhibiting N-substituted N-amino-pyrroles | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |