Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CASP3 | P42574 | 5/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 5/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 5/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | CASP9 | P55211 | 2/20 | 0.45 |
| ▸ | CASP6 | P55212 | 2/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6736049 | 0.94 | SMN1; SMN2 (0.51) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL218867 | 0.77 | SMN1; SMN2 (0.53) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL23529356 | 0.76 | SMN1; SMN2 (0.53) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL2118284 | 0.76 | ATM (0.55) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL7036575 | 0.76 | SMN1; SMN2 (0.51) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL1937600 | 0.76 | LMNA (0.54) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL27938343 | 0.75 | SMN1; SMN2 (0.54) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL3710052 | 0.75 | GSK3B (0.55) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL6261682 | 0.75 | SMN1; SMN2 (0.59) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL7803762 | 0.72 | SMN1; SMN2 (0.46) | SMN1; SMN2HTTLMNAKMT2AMEN1 |
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-109280044-B | Raltitrexed impurity C and preparation and application thereof | 南京正大天晴制药有限公司 | 2021-04-02 | — | — | CN | disclosed |