Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.40 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.40 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25929182 | 0.80 | HDAC6 (0.42) | HDAC1HDAC6ALDH1A1CASP3SENP7 | |
| SCHEMBL25927553 | 0.79 | HDAC1 (0.44) | ADORA3HDAC1HDAC8HDAC6ESR1 | |
| SCHEMBL18347069 | 0.76 | EGFR (0.46) | ADORA3HDAC1HDAC8HDAC6ESR1 | |
| SCHEMBL17343544 | 0.74 | HDAC1 (0.45) | HDAC1HDAC8HDAC6ESR1ESR2 | |
| SCHEMBL21760739 | 0.74 | ESR1 (0.62) | HDAC1HDAC8HDAC6ESR1ESR2 | |
| SCHEMBL713654 | 0.73 | ESR1 (0.56) | HDAC1HDAC8HDAC6ESR1ESR2 | |
| SCHEMBL21760742 | 0.73 | ESR1 (0.61) | HDAC1HDAC8HDAC6ESR1ESR2 | |
| SCHEMBL25928110 | 0.72 | HDAC6 (0.56) | HDAC6SCDALDH1A1NPC1RAB9A | |
| SCHEMBL17343543 | 0.72 | ESR1 (0.59) | HDAC1HDAC8HDAC6ESR1ESR2 | |
| SCHEMBL25927861 | 0.72 | KMT2A (0.57) | HDAC1HDAC8HDAC6ALDH1A1CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023138254-A1 | HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT | 上海八亿时空先进材料有限公司 | 2023-07-27 | — | — | WO | disclosed |