Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.56 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555975 | 0.89 | TDP1 (0.73) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| 3-Methylbutanoic Acid SCHEMBL29281110 | 0.82 | TDP1 (0.61) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| Ethyl Acetate SCHEMBL29281111 | 0.82 | TDP1 (0.71) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| SCHEMBL1493992 | 0.81 | MAPK1 (0.57) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| Dioxane SCHEMBL29281108 | 0.81 | TDP1 (0.63) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| SCHEMBL7411536 | 0.80 | TDP1 (0.69) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| SCHEMBL6671177 | 0.79 | HTT (0.58) | TDP1SMN1; SMN2MAPK1ALDH1A1KMT2A | |
| Tetrahydrofuran SCHEMBL29281107 | 0.79 | TDP1 (0.60) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| Butyric Acid SCHEMBL29281109 | 0.78 | TDP1 (0.66) | TDP1SMN1; SMN2CDK1MAPK1ALDH1A1 | |
| SCHEMBL7981309 | 0.77 | TDP1 (0.65) | TDP1SMN1; SMN2CDK1ALDH1A1RORC |
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-117843520-A | Methoxychlor-pram intermediate and preparation method and application thereof | 常熟泓德生物科技有限公司 | 2024-04-09 | — | — | CN | disclosed |