Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 3/20 | 0.35 |
| ▸ | GABRD | O14764 | 3/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.35 |
| ▸ | GABRE | P78334 | 3/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1671209 | 0.79 | ASPH (0.43) | KDM4EITGB1ITGA4SYKHSD17B10 | |
| Trimethylammonium SCHEMBL8541657 | 0.75 | ASPH (0.38) | KDM4EITGB1ITGA4SYKHSD17B10 | |
| Trimethylammonium SCHEMBL8543218 | 0.75 | ASPH (0.38) | KDM4EITGB1ITGA4SYKHSD17B10 | |
| 3-Chloroaniline SCHEMBL27676204 | 0.70 | ALDH1A1 (0.41) | ITGB1ITGA4SYKALDH1A1 | |
| SCHEMBL23631773 | 0.68 | SYK (0.48) | KDM4EITGB1ITGA4SYKKMT2A | |
| SCHEMBL8574991 | 0.68 | NFKB1 (0.40) | KDM4EITGB1ITGA4SYKHSD17B10 | |
| SCHEMBL6775372 | 0.67 | KDM4E (0.62) | KDM4EKMT2AALDH1A1HPGDTSHR | |
| SCHEMBL1012918 | 0.67 | HCAR2 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL13531248 | 0.65 | KDM4E (0.49) | KDM4EALDH1A1MGLLTDP1CYP3A4 | |
| SCHEMBL16592100 | 0.65 | VNN1 (0.38) | KDM4EHSD17B10ALDH1A1TDP1CYP3A4 |
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-106831603-B | A kind of preparation method containing fluoropyrimidine compound | 辽宁大学 | 2019-07-02 | — | — | CN | disclosed |
| CN-106831603-A | A kind of preparation method containing fluoropyrimidine compound | 辽宁大学 | 2017-06-13 | — | — | CN | disclosed |