Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 2/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 6/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28217078 | 0.93 | PAK4 (0.51) | PAK4NAMPTPAK1XDHSLC22A12 | |
| SCHEMBL28217236 | 0.92 | CYP3A4 (0.45) | PAK4NAMPTPAK1TSHRALDH1A1 | |
| SCHEMBL28859635 | 0.90 | PAK4 (0.42) | PAK4NAMPTPAK1TSHRALDH1A1 | |
| SCHEMBL28217174 | 0.89 | PAK4 (0.43) | PAK4NAMPTPAK1XDHSLC22A12 | |
| SCHEMBL28216638 | 0.87 | PAK4 (0.44) | PAK4NAMPTPAK1TSHRALDH1A1 | |
| SCHEMBL28216641 | 0.86 | KCNH2 (0.48) | PAK4NAMPTPAK1XDHSLC22A12 | |
| SCHEMBL28860105 | 0.85 | ABL1 (0.50) | PAK4NAMPTPAK1ALDH1A1LMNA | |
| SCHEMBL28217178 | 0.85 | PAK4 (0.44) | PAK4NAMPTPAK1XDHSLC22A12 | |
| SCHEMBL28216567 | 0.84 | GRM5 (0.42) | TSHRALDH1A1MEN1KMT2AUSP2 | |
| SCHEMBL28217134 | 0.84 | SLC6A7 (0.48) | PAK4NAMPTPAK1XDHSLC22A12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108440515-A | Substituted benzofuranyl and benzoxazole based compound and application thereof | 卡尔约药物治疗公司 | 2018-08-24 | — | — | CN | disclosed |
| CN-105492437-B | Substituted benzofuranyl and benzoxazolyl compounds and uses thereof | 卡尔约药物治疗公司 | 2018-05-11 | — | — | CN | disclosed |