Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562275 | 0.97 | MYC (0.42) | MYCABCB1ABCG2ALDH1A3PDPK1 | |
| SCHEMBL22562274 | 0.94 | MYC (0.40) | MYCABCB1ABCG2ALDH1A3PDPK1 | |
| SCHEMBL22562277 | 0.94 | ALDH1A3 (0.38) | MYCABCB1ABCG2ALDH1A3PDPK1 | |
| SCHEMBL22761025 | 0.92 | ALDH1A3 (0.42) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562255 | 0.91 | ALDH1A3 (0.39) | MYCABCB1ABCG2ALDH1A3PDPK1 | |
| SCHEMBL22562280 | 0.91 | MYC (0.42) | MYCABCB1ABCG2ALDH1A3PDPK1 | |
| SCHEMBL21547044 | 0.89 | ALDH1A3 (0.44) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562443 | 0.89 | ABCB1 (0.37) | MYCABCB1ABCG2ALDH1A3PDPK1 | |
| SCHEMBL22562266 | 0.89 | MEN1 (0.35) | MEN1KMT2AATM | |
| SCHEMBL22562614 | 0.89 | MEN1 (0.40) | PDK2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3418278-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |