Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Methyl 3-Methoxybenzoate SCHEMBL384913 | 0.87 | SMN1; SMN2 (0.73) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| Methyl 3-Methoxybenzoate SCHEMBL29702092 | 0.87 | SMN1; SMN2 (0.73) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| Methyl 3-Methoxybenzoate SCHEMBL3237334 | 0.83 | SMN1; SMN2 (0.54) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| SCHEMBL5558318 | 0.81 | SMN1; SMN2 (0.66) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| Methyl 3-Methoxybenzoate SCHEMBL27476346 | 0.80 | SMN1; SMN2 (0.64) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| Methyl 3-Methoxybenzoate SCHEMBL29121409 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| Methyl 3-Methoxybenzoate SCHEMBL7469145 | 0.78 | SMN1; SMN2 (0.62) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| SCHEMBL6432447 | 0.78 | NEK1 (0.63) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| SCHEMBL6970519 | 0.77 | CES2 (0.67) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| SCHEMBL2096026 | 0.77 | SMN1; SMN2 (0.56) | SMN1; SMN2TP53NPC1RAB9AMEN1 |
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-109836351-A | A kind of preparation method of cholagogic alibendol | 辽宁博美医药科技有限公司 | 2019-06-04 | — | — | CN | claimed |