Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10339935 | 0.80 | PIK3CD (0.40) | HDAC6HDAC1HDAC2TDP1DGAT1 | |
| SCHEMBL10939959 | 0.80 | HMGCR (0.48) | HDAC6HDAC1HDAC2TDP1DGAT1 | |
| SCHEMBL4553890 | 0.77 | DGAT1 (0.37) | HDAC6HDAC1HDAC2TDP1DGAT1 | |
| SCHEMBL23748469 | 0.76 | TDP1 (0.34) | HDAC6HDAC1HDAC2TDP1DGAT1 | |
| SCHEMBL28832570 | 0.76 | DGAT1 (0.33) | HDAC6HDAC1HDAC2TDP1DGAT1 | |
| SCHEMBL10339934 | 0.75 | DGAT1 (0.36) | HDAC6HDAC1HDAC2TDP1DGAT1 | |
| SCHEMBL2829358 | 0.74 | DGAT1 (0.41) | HDAC6HDAC1HDAC2DGAT1HMGCR | |
| SCHEMBL9249667 | 0.74 | ALDH1A1 (0.48) | HDAC6HDAC1HDAC2DGAT1HMGCR | |
| SCHEMBL140085 | 0.74 | — | — | |
| SCHEMBL178353 | 0.73 | DGAT1 (0.34) | HDAC6HDAC1HDAC2TDP1DGAT1 |
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-119546588-A | Pyridine checkpoint kinase 1 (CHK 1) inhibitors and uses thereof | 无界生物公司 | 2025-02-28 | — | — | CN | disclosed |
| CN-117715905-A | Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof | 无界生物公司 | 2024-03-15 | — | — | CN | disclosed |