Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.78 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.78 |
| ▸ | APC | P25054 | 9/20 | 0.75 |
| ▸ | MMP2 | P08253 | 4/20 | 0.71 |
| ▸ | MMP9 | P14780 | 4/20 | 0.71 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.61 |
| ▸ | KDR | P35968 | 1/20 | 0.61 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL28020452 | 0.91 | EGFR (0.77) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL28020561 | 0.90 | APC (0.75) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL28020036 | 0.90 | APC (0.75) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL28020458 | 0.89 | APC (0.76) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL9356235 | 0.79 | EGFR (1.00) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL27921881 | 0.77 | EGFR (0.71) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL27958029 | 0.76 | EGFR (0.81) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL27955191 | 0.74 | EGFR (0.71) | EGFRERBB2MMP2MMP9ERBB3 | |
| SCHEMBL14540795 | 0.71 | NPSR1 (0.73) | EGFRERBB2APCMMP2MMP9 | |
| SCHEMBL14540788 | 0.69 | EGFR (0.67) | EGFRERBB2APCMMP2MMP9 |
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-104961683-A | Preparation method of dihydropyrazol piperazine derivatives containing naphthalene ring skeleton and application in anti-cancer drugs | NANJING UNIVERSITY OF TECHNOLOGY | 2015-10-07 | — | — | CN | disclosed |
| CN-104829534-A | Preparation method of dihydro-pyrazole morpholine derivatives containing naphthalene nucleus frameworks and application of dihydro-pyrazole morpholine derivatives to preparation of antitumor drugs | NANJING UNIVERSITY OF TECHNOLOGY | 2015-08-12 | — | — | CN | disclosed |