Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 12/20 | 0.66 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.66 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.66 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.66 |
| ▸ | ROS1 | P08922 | 1/20 | 0.66 |
| ▸ | FLT3 | P36888 | 1/20 | 0.66 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.66 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.66 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.56 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3321613 | 0.99 | EGFR (0.65) | EGFRERBB2AURKBERBB4CHEK2 | |
| SCHEMBL3021044 | 0.83 | EGFR (0.77) | EGFRERBB2AURKBERBB4CHEK2 | |
| Hydrochloric Acid SCHEMBL8896369 | 0.83 | EGFR (0.73) | EGFRERBB2AURKBERBB4CHEK2 | |
| Hydrochloric Acid SCHEMBL8810292 | 0.82 | EGFR (0.72) | EGFRERBB2AURKBERBB4CHEK2 | |
| Hydrochloric Acid SCHEMBL3324380 | 0.82 | EGFR (0.76) | EGFRERBB2AURKBERBB4CHEK2 | |
| Hydrochloric Acid SCHEMBL8812620 | 0.82 | EGFR (0.76) | EGFRERBB2AURKBERBB4CHEK2 | |
| SCHEMBL1387160 | 0.82 | EGFR (0.73) | EGFRERBB2AURKBERBB4CHEK2 | |
| Hydrochloric Acid SCHEMBL8815004 | 0.81 | EGFR (0.70) | EGFRERBB2AURKBERBB4CHEK2 | |
| Hydrochloric Acid SCHEMBL8815263 | 0.81 | EGFR (0.72) | EGFRERBB2AURKBERBB4CHEK2 | |
| SCHEMBL14227107 | 0.81 | EGFR (0.74) | EGFRERBB2AURKBERBB4CHEK2 |
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-1134438-C | Bicyclic heteroaromatic compounds, preparation method and use thereof | �ձ���ҩ��ʽ���� | 2004-01-14 | — | — | CN | disclosed |
| CN-1292788-A | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | GLAXO GROUP LTD (GB) | 2001-04-25 | — | — | CN | disclosed |