Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | FLT1 | P17948 | 2/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | F12 | P00748 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20356686 | 0.89 | EGFR (0.61) | EGFRKDRFLT1PDGFRBKIT | |
| SCHEMBL20356687 | 0.87 | NPC1 (0.56) | EGFRCYP2A6HTTMAPTKDM4E | |
| SCHEMBL20362955 | 0.84 | LMNA (0.50) | EGFRCYP2A6MAPTMEN1KMT2A | |
| SCHEMBL1921849 | 0.82 | ABCG2 (0.53) | EGFRCYP2A6KITMAPTKDM4E | |
| SCHEMBL26928674 | 0.82 | CYP2A6 (0.49) | EGFRCYP2A6KDRFLT1FDPS | |
| SCHEMBL6175758 | 0.82 | EGFR (0.56) | EGFRCYP2A6MAPTFDPSNPC1 | |
| SCHEMBL34467229 | 0.82 | EGFR (0.56) | EGFRCYP2A6MAPTFDPSNPC1 | |
| Hydrochloric Acid SCHEMBL30738225 | 0.81 | CYP2A6 (0.47) | EGFRCYP2A6KDRHTTHIF1A | |
| SCHEMBL26928644 | 0.80 | CYP2A6 (0.46) | EGFRCYP2A6KDRMEN1KMT2A | |
| SCHEMBL25168740 | 0.79 | ADRA2A (0.51) | EGFRCYP2A6KDRFLT1PDGFRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112390755-B | Heteroaryl method for amine | 中国科学院理化技术研究所 | 2024-08-02 | — | — | CN | claimed |