Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | PRKCZ | Q05513 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL27955195 | 0.87 | EGFR (0.71) | EGFRERBB2MMP2MMP8MEN1 | |
| SCHEMBL28016087 | 0.86 | EGFR (0.64) | EGFRERBB2PRKCZKDM4EMEN1 | |
| SCHEMBL27955196 | 0.84 | EGFR (0.71) | EGFRERBB2MMP2PRKCZKDM4E | |
| SCHEMBL9648922 | 0.77 | EGFR (0.64) | EGFRERBB2PRKCZKDM4EMEN1 | |
| SCHEMBL31429970 | 0.76 | EGFR (0.74) | EGFRERBB2KDM4EMEN1MAPT | |
| SCHEMBL2687295 | 0.76 | EGFR (0.78) | EGFRERBB2PRKCZKDM4EMEN1 | |
| SCHEMBL27955200 | 0.76 | MEN1 (0.77) | EGFRERBB2PRKCZMEN1KMT2A | |
| SCHEMBL27955203 | 0.74 | EGFR (0.71) | EGFRERBB2MMP2MMP8KDM4E | |
| SCHEMBL27955191 | 0.74 | EGFR (0.71) | EGFRERBB2MMP2MMP8KDM4E | |
| SCHEMBL27954385 | 0.74 | CA2 (0.76) | MMP2KDM4EMEN1MAPTKMT2A |
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-103724267-A | Pyrazoline derivatives prepared from salicylaldehyde, and preparation method thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2014-04-16 | — | — | CN | disclosed |