Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.64 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9648922 | 0.91 | EGFR (0.64) | EGFRERBB2CA12CA9KDM4E | |
| SCHEMBL27955192 | 0.86 | EGFR (0.58) | EGFRERBB2CA12CA9KDM4E | |
| SCHEMBL27955195 | 0.79 | EGFR (0.71) | EGFRERBB2MEN1KMT2A | |
| SCHEMBL9649398 | 0.78 | L3MBTL1 (0.73) | EGFRERBB2MEN1MAPTKMT2A | |
| SCHEMBL2687295 | 0.78 | EGFR (0.78) | EGFRERBB2CA12CA9KDM4E | |
| SCHEMBL31429970 | 0.78 | EGFR (0.74) | EGFRERBB2CA12CA9KDM4E | |
| SCHEMBL27955196 | 0.76 | EGFR (0.71) | EGFRERBB2KDM4EMEN1MAPT | |
| SCHEMBL554670 | 0.75 | EGFR (0.74) | EGFRERBB2KDM4EMEN1MAPT | |
| SCHEMBL23052538 | 0.75 | ALDH1A1 (0.48) | EGFRERBB2KDM4EMEN1MAPT | |
| SCHEMBL9650265 | 0.75 | L3MBTL1 (0.74) | EGFRERBB2MEN1KMT2AATM |
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-104693120-A | Environment-friendly method for catalytic synthesis of 1,3,5-triple substituent-2-pyrazoline derivative through ionic liquid | UNIV SHANDONG NORMAL | 2015-06-10 | — | — | CN | disclosed |