Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | USP2 | O75604 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 3/20 | 0.44 |
| ▸ | BCR | P11274 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28216598 | 0.92 | PAK4 (0.45) | CYP3A4USP2TSHRCYP2D6PAK4 | |
| SCHEMBL28217078 | 0.91 | PAK4 (0.51) | CYP3A4USP2TSHRCYP2D6PAK4 | |
| SCHEMBL28216567 | 0.90 | GRM5 (0.42) | CYP3A4USP2TSHRCYP2D6ALDH1A1 | |
| SCHEMBL28217174 | 0.89 | PAK4 (0.43) | CYP3A4USP2TSHRPAK4NAMPT | |
| SCHEMBL28217134 | 0.88 | SLC6A7 (0.48) | PAK4NAMPTPAK1HPGDABL1 | |
| SCHEMBL28216638 | 0.87 | PAK4 (0.44) | CYP3A4USP2TSHRCYP2D6PAK4 | |
| SCHEMBL28859635 | 0.86 | PAK4 (0.42) | CYP3A4USP2TSHRCYP2D6PAK4 | |
| SCHEMBL28860105 | 0.85 | ABL1 (0.50) | CYP3A4USP2PAK4NAMPTPAK1 | |
| SCHEMBL28216641 | 0.84 | KCNH2 (0.48) | CYP3A4TSHRPAK4NAMPTPAK1 | |
| SCHEMBL16379770 | 0.83 | PAK4 (0.55) | CYP3A4USP2TSHRCYP2D6PAK4 |
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 |