Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.58 |
| ▸ | PI4KA | P42356 | 1/20 | 0.50 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.50 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030057 | 0.81 | EGFR (0.65) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2184445 | 0.79 | EGFR (0.68) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| Hydrochloric Acid SCHEMBL14775621 | 0.78 | EGFR (0.66) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL8900055 | 0.76 | EGFR (0.69) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL11013925 | 0.75 | HTT (0.61) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| Hydrochloric Acid SCHEMBL6039704 | 0.75 | EGFR (0.67) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL4424934 | 0.73 | EGFR (0.47) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL21415554 | 0.73 | EGFR (0.60) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| Hydrochloric Acid SCHEMBL8375173 | 0.73 | HTT (0.59) | EGFRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL3109912 | 0.73 | EGFR (1.00) | EGFRHDAC1HDAC8HDAC6 |
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-102827087-B | Synthetic method of erlotinib | CHENGDU INST BIOLOGY CAS | 2015-03-25 | — | — | CN | disclosed |
| CN-102827087-A | Synthetic method of erlotinib | CHENGDU INST BIOLOGY CAS | 2012-12-19 | — | — | CN | disclosed |