Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | BRD2 | P25440 | 1/20 | 0.31 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL18521190 | 0.79 | RXFP1 (0.36) | RXFP1L3MBTL1TSHRMAPK1HSD17B10 | |
| Bromide SCHEMBL16494617 | 0.78 | NOS3 (0.32) | CYP17A1CYP1A2 | |
| SCHEMBL6619651 | 0.76 | RXFP1 (0.34) | RXFP1L3MBTL1TSHRMAPK1HSD17B10 | |
| SCHEMBL1664963 | 0.75 | SMN1; SMN2 (0.50) | RXFP1L3MBTL1TSHRHSD17B10CYP17A1 | |
| SCHEMBL9691041 | 0.71 | RAB9A (0.36) | HSD17B10CYP17A1CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL9691174 | 0.71 | CYP17A1 (0.49) | L3MBTL1TSHRMAPK1HSD17B10CYP17A1 | |
| SCHEMBL27447606 | 0.70 | ALDH1A1 (0.39) | TSHRHSD17B10CYP17A1CYP1A2SMN1; SMN2 | |
| SCHEMBL9689135 | 0.70 | CYP17A1 (0.48) | RXFP1L3MBTL1TSHRHSD17B10CYP17A1 | |
| SCHEMBL27360285 | 0.70 | GABRA1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27389545 | 0.69 | PDE9A (0.36) | MAPK1 |
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-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |