Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.52 |
| ▸ | SCD | O00767 | 7/20 | 0.51 |
| ▸ | AR | P10275 | 2/20 | 0.47 |
| ▸ | SCD5 | Q86SK9 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30660582 | 1.00 | HDAC3 (0.52) | HDAC3HDAC8NCOR2SCDAR | |
| SCHEMBL30660606 | 0.86 | SCD (0.53) | HDAC3HDAC8NCOR2SCDAR | |
| SCHEMBL29276688 | 0.82 | HDAC3 (0.49) | HDAC3HDAC8NCOR2SCDAR | |
| SCHEMBL30660594 | 0.80 | HDAC3 (0.60) | HDAC3HDAC8NCOR2SCDAR | |
| SCHEMBL29276689 | 0.75 | HDAC3 (0.59) | HDAC3HDAC8NCOR2SCDAR | |
| SCHEMBL30660584 | 0.75 | HDAC3 (0.59) | HDAC3HDAC8NCOR2SCDAR | |
| SCHEMBL26969973 | 0.75 | HDAC3 (0.54) | HDAC3HDAC8NCOR2SCDAR | |
| Hydrochloric Acid SCHEMBL30660614 | 0.74 | MAPT (0.50) | ARALDH1A1MAPTLMNA | |
| SCHEMBL31319588 | 0.73 | AR (0.56) | HDAC3HDAC8NCOR2SCDAR | |
| SCHEMBL31319580 | 0.73 | AR (0.56) | HDAC3HDAC8NCOR2SCDAR |
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-117186098-A | Carboxamide derivative with RSK inhibition effect, pharmaceutical composition containing carboxamide derivative and application of carboxamide derivative | 上海科恩泰生物医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |