Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HCK | P08631 | 1/20 | 0.46 |
| ▸ | GCK | P35557 | 1/20 | 0.46 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 10/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | ARAF | P10398 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22018086 | 0.85 | MAPT (0.48) | HDAC1HDAC8HDAC6HCKNR2C2 | |
| SCHEMBL28537925 | 0.82 | TMPRSS2 (0.58) | KDM4EHTTKMT2AMAPTMEN1 | |
| SCHEMBL22017771 | 0.76 | MAPT (0.47) | HCKNR2C2BRAFKDM4EHTT | |
| SCHEMBL22018092 | 0.75 | BRAF (0.60) | BRAF | |
| SCHEMBL22018093 | 0.75 | BRAF (0.59) | BRAF | |
| SCHEMBL22017588 | 0.74 | TMPRSS2 (0.64) | HCKGCKNR2C2BRAFHTT | |
| SCHEMBL22017586 | 0.73 | TMPRSS2 (0.57) | KDM4EHTTKMT2AMAPTMEN1 | |
| SCHEMBL19392493 | 0.72 | MAPT (0.57) | KDM4EKMT2AMAPTMEN1ALDH1A1 | |
| SCHEMBL29561404 | 0.72 | NPC1 (0.75) | KDM4EHTTKMT2AMAPTMEN1 | |
| SCHEMBL2219628 | 0.72 | ABL1 (0.58) | HDAC1HDAC8HDAC6HTTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109503518-B | Substituted biaryl amide compound and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2021-03-30 | — | — | CN | disclosed |
| WO-2020098710-A1 | SUBSTITUTED BIS-ARYL AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREFOR | 中国医学科学院医药生物技术研究所 | 2020-05-22 | — | — | WO | disclosed |
| CN-109503518-A | A kind of substituted double aromatic radical amide compounds and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2019-03-22 | — | — | CN | disclosed |