Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28750430 | 0.79 | TDP1 (0.50) | TDP1ALDH1A1 | |
| SCHEMBL1114221 | 0.78 | — | — | |
| Tert-Butyl Formate SCHEMBL28267336 | 0.74 | TDP1 (0.59) | TDP1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27767519 | 0.72 | TDP1 (0.56) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28265310 | 0.71 | TDP1 (0.54) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27993015 | 0.70 | TDP1 (0.48) | TDP1KDM4EGAAMAPK1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27742763 | 0.69 | TDP1 (0.52) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28788230 | 0.67 | TDP1 (0.68) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28094436 | 0.66 | TDP1 (0.59) | TDP1 | |
| Tert-Butyl Formate SCHEMBL1671 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646492-B | Substituted xanthine class compound and its preparation method and application containing five yuan of heteroaromatics | 中国医学科学院药物研究所 | 2019-04-09 | — | — | CN | disclosed |
| CN-105646492-A | Five-membered-aromatic-heterocycte-containing substituted xanthine compound and preparation method and use thereof | 中国医学科学院药物研究所 | 2016-06-08 | — | — | CN | disclosed |