Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 5/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2863084 | 0.92 | TLR9 (0.46) | TLR9TLR8TLR7ACHEBCHE | |
| SCHEMBL2859694 | 0.92 | ACHE (0.44) | TLR9TLR8TLR7ACHEBCHE | |
| SCHEMBL18103347 | 0.91 | MCHR1 (0.42) | TLR9TLR8TLR7ACHEBCHE | |
| SCHEMBL2860060 | 0.91 | TLR8 (0.45) | TLR9TLR8TLR7ACHEBCHE | |
| SCHEMBL2861402 | 0.89 | TLR8 (0.44) | TLR9TLR8TLR7ACHEBCHE | |
| SCHEMBL2862030 | 0.89 | MCHR1 (0.38) | TLR9TLR8TLR7CYP1A2CYP3A4 | |
| SCHEMBL2866539 | 0.88 | SLC22A6 (0.47) | TLR9TLR8TLR7CYP1A2HSP90AA1 | |
| SCHEMBL2861704 | 0.88 | TLR9 (0.43) | TLR9TLR8TLR7CYP1A2HSP90AA1 | |
| SCHEMBL2859333 | 0.88 | TLR9 (0.43) | TLR9TLR8TLR7ACHEBCHE | |
| SCHEMBL2856197 | 0.87 | TLR8 (0.44) | TLR9TLR8TLR7ACHECYP1A2 |
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-100567242-C | Hsp90 family protein blockers | KYOWA HAKKO KOGYO KK (JP) | 2009-12-09 | — | — | CN | disclosed |
| CN-1791568-A | Hsp90 family protein inhibitors | KYOWA HAKKO KOGYO KK (JP) | 2006-06-21 | — | — | CN | disclosed |