Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 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 | |
|---|---|---|---|---|
| SCHEMBL23655589 | 0.88 | CYP2C9 (0.46) | CYP2C9CYP2C19CYP3A4MMP2MMP9 | |
| SCHEMBL23655806 | 0.88 | CYP3A4 (0.43) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL23655561 | 0.85 | THRB (0.49) | THRB | |
| SCHEMBL23655774 | 0.84 | ACACB (0.37) | CYP2C9CYP2C19FFAR4NCF1CYP3A4 | |
| SCHEMBL23655769 | 0.83 | CYP2C9 (0.49) | CYP2C9CYP2C19CYP3A4MMP2MMP9 | |
| SCHEMBL23655961 | 0.83 | CYP2C9 (0.45) | CYP2C9CYP2C19CYP3A4ADH1BADH1C | |
| SCHEMBL23655548 | 0.83 | GAA (0.44) | CYP2C9CYP2C19CYP3A4ADH1BADH1C | |
| SCHEMBL23655555 | 0.83 | CYP2C9 (0.46) | CYP2C9CYP2C19HDAC6CYP3A4 | |
| SCHEMBL23655354 | 0.83 | ADH1B (0.50) | FFAR4ADH1BADH1CADH1AADH7 | |
| SCHEMBL23655583 | 0.82 | ADH1B (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3027615-B1 | ANTI-INFECTIVE COMPOUNDS | PASTEUR INSTITUT KOREA (KR) | 2021-07-21 | — | — | EP | disclosed |