Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.42 |
| ▸ | GABRD | O14764 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.42 |
| ▸ | GABRE | P78334 | 2/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.42 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.42 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Crotonic Acid SCHEMBL29058807 | 0.84 | TP53 (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Crotonic Acid SCHEMBL1080122 | 0.83 | TSHR (0.57) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Crotonic Acid SCHEMBL1428157 | 0.83 | TSHR (0.57) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Crotonic Acid SCHEMBL22034 | 0.83 | — | — | |
| Crotonic Acid SCHEMBL22033 | 0.83 | — | — | |
| Crotonic Acid SCHEMBL28429 | 0.83 | — | — | |
| Crotonic Acid SCHEMBL560763 | 0.83 | TSHR (0.57) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Crotonic Acid SCHEMBL167626 | 0.83 | TSHR (0.57) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Crotonic Acid SCHEMBL1427547 | 0.83 | TSHR (0.57) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Crotonic Acid SCHEMBL6550773 | 0.80 | — | — |
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-104761585-B | The substituted-amino pyrimidine of inhibitor as EGFR tyrosine kinase | 北京轩义医药科技有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-104761544-B | The selective depressant of the important mutant of clinic of EGFR tyrosine kinase | 北京轩义医药科技有限公司 | 2019-03-15 | — | — | CN | disclosed |