Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5215516 | 0.80 | KEAP1 (0.58) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL1602027 | 0.76 | KEAP1 (0.54) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL6191952 | 0.76 | KEAP1 (0.54) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL1891210 | 0.76 | NOS1 (0.57) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL12195215 | 0.76 | KEAP1 (0.54) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL23406423 | 0.76 | KEAP1 (0.54) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL5864 | 0.76 | KEAP1 (0.67) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL15265736 | 0.75 | CES1 (0.50) | ALDH1A1TDP1HDAC8HDAC6NOS1 | |
| SCHEMBL2240494 | 0.74 | KEAP1 (0.64) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| Hydrochloric Acid SCHEMBL2338709 | 0.74 | NOS1 (0.55) | KEAP1ALDH1A1FFAR1TDP1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107428736-B | Home chemokine inhibitors | 癌症研究科技有限公司 | 2020-08-11 | — | — | CN | disclosed |