Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.71 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.71 |
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | MMP2 | P08253 | 3/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL27955196 | 0.86 | EGFR (0.71) | EGFRERBB2MEN1KMT2AMAPT | |
| SCHEMBL27955203 | 0.86 | EGFR (0.71) | EGFRERBB2MEN1KMT2AMAPT | |
| SCHEMBL27955195 | 0.86 | EGFR (0.71) | EGFRERBB2MEN1KMT2AHSP90AA1 | |
| SCHEMBL25138590 | 0.83 | EGFR (0.78) | EGFRERBB2MEN1KMT2AHSP90AA1 | |
| SCHEMBL11208392 | 0.83 | EGFR (0.74) | EGFRERBB2MEN1KMT2AMAPT | |
| SCHEMBL27955202 | 0.83 | MEN1 (0.77) | EGFRERBB2MEN1KMT2AHSP90AA1 | |
| SCHEMBL27760024 | 0.80 | EGFR (0.74) | EGFRERBB2MEN1KMT2AMAPT | |
| SCHEMBL9628765 | 0.77 | PRKCZ (0.77) | EGFRERBB2MEN1KMT2AMAPT | |
| SCHEMBL8171059 | 0.77 | CA1 (0.73) | EGFRERBB2MEN1KMT2AMAPT | |
| SCHEMBL3594537 | 0.77 | PKM (0.63) | MEN1KMT2AHSP90AA1TLR9MMP2 |
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 |