Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29625352 | 0.80 | SIGMAR1 (0.43) | SIGMAR1MAOAMAOBHSD17B3NISCH | |
| SCHEMBL4854732 | 0.80 | SIGMAR1 (0.43) | SIGMAR1MAOAMAOBHSD17B3NISCH | |
| SCHEMBL31325075 | 0.80 | SIGMAR1 (0.46) | SIGMAR1MAOAMAOBHSD17B3NISCH | |
| SCHEMBL10965410 | 0.78 | SIGMAR1 (0.45) | SIGMAR1MAOAMAOBHSD17B3NISCH | |
| SCHEMBL9530682 | 0.72 | SIGMAR1 (0.43) | SIGMAR1MAOAMAOBHSD17B3NISCH | |
| SCHEMBL38660690 | 0.70 | SIGMAR1 (0.40) | SIGMAR1NISCHCYP2D6TSHRCYP2C19 | |
| SCHEMBL409751 | 0.69 | MAOA (0.38) | SIGMAR1MAOAMAOBNISCHCYP2D6 | |
| SCHEMBL31633760 | 0.68 | SIGMAR1 (0.40) | SIGMAR1HSD17B3NISCHCYP2D6TSHR | |
| SCHEMBL23664231 | 0.68 | MAPT (0.38) | MAOAMAOBHSD17B3TSHRKMT2A | |
| SCHEMBL1441712 | 0.67 | PKM (0.41) | MAOAMAOBNISCHCYP2D6TSHR |
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-115448905-A | Benzoic acid ester derivatives | 浙江越甲药业有限公司 | 2022-12-09 | — | — | CN | disclosed |