Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2494024 | 0.89 | HDAC1 (0.50) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL6232266 | 0.84 | MGAM (0.38) | TDP1SLC1A1ALDH1A1MGAMGAA | |
| SCHEMBL1935489 | 0.79 | TSHR (0.44) | TDP1TSHRNPSR1SLC1A3SLC1A2 | |
| SCHEMBL7061425 | 0.77 | — | — | |
| SCHEMBL23631407 | 0.76 | HDAC1 (0.57) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL19679638 | 0.75 | HDAC7 (0.50) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL3964956 | 0.72 | CA2 (0.57) | TSHRSLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL6657344 | 0.72 | — | — | |
| SCHEMBL4301103 | 0.72 | — | — | |
| SCHEMBL482630 | 0.72 | — | — |
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-116075514-A | Pharmacologically active heterocyclic substituted pyrazolo [1,5-a ] pyrimidine derivatives | 吉瑞工厂 | 2023-05-05 | — | — | CN | disclosed |