Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.59 |
| ▸ | SCD | O00767 | 4/20 | 0.55 |
| ▸ | SCD5 | Q86SK9 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30660584 | 1.00 | HDAC3 (0.59) | HDAC3HDAC8NCOR2SCDSCD5 | |
| SCHEMBL30660594 | 0.84 | HDAC3 (0.60) | HDAC3HDAC8NCOR2SCDSCD5 | |
| SCHEMBL30660648 | 0.81 | HDAC3 (0.56) | HDAC3HDAC8NCOR2SCDSCD5 | |
| SCHEMBL29276685 | 0.81 | HDAC3 (0.56) | HDAC3HDAC8NCOR2SCDSCD5 | |
| SCHEMBL64988 | 0.78 | MAPK1 (0.51) | CYP17A1ATR | |
| SCHEMBL30697025 | 0.77 | HDAC3 (0.50) | HDAC3HDAC8NCOR2SCDSCD5 | |
| SCHEMBL26969973 | 0.77 | HDAC3 (0.54) | HDAC3HDAC8NCOR2SCDSCD5 | |
| SCHEMBL30730236 | 0.76 | HSD17B10 (0.48) | ALDH1A1 | |
| SCHEMBL29276691 | 0.75 | PTGER1 (0.52) | SMN1; SMN2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL30660582 | 0.75 | HDAC3 (0.52) | HDAC3HDAC8NCOR2SCDSCD5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023236960-A1 | CARBOXAMIDE DERIVATIVE HAVING RSK INHIBITORY EFFECT, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 上海科恩泰生物医药科技有限公司 | 2023-12-14 | — | — | WO | disclosed |
| 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 |