Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.64 |
| ▸ | HMGCR | P04035 | 4/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | RHOC | P08134 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.64 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.62 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.62 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.61 |
| ▸ | PDE6D | O43924 | 4/20 | 0.60 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5805276 | 0.99 | HMGCR (0.65) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5809115 | 0.98 | HMGCR (0.64) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5804873 | 0.97 | HMGCR (0.65) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5804695 | 0.96 | SLCO1B1 (0.64) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5804867 | 0.95 | HMGCR (0.66) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5805228 | 0.94 | HMGCR (0.67) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5805022 | 0.92 | SLCO1B1 (0.57) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL14318916 | 0.91 | PDE6D (0.69) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5809213 | 0.91 | PDE6D (0.68) | SLCO1B1HMGCRABCB11HDAC1HDAC2 | |
| SCHEMBL5806850 | 0.89 | HMGCR (0.54) | SLCO1B1HMGCRABCB11HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006110918-A1 | PYRROLE COMPOUNDS AND USES THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2006-10-19 | — | — | WO | claimed |
| WO-2006110918-A1 | PYRROLE COMPOUNDS AND USES THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2006-10-19 | — | — | WO | disclosed |