Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SGK1 | O00141 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16749647 | 1.00 | EGFR (0.45) | EGFRMAPTSGK1CAMKK2STAT3 | |
| SCHEMBL16769665 | 0.95 | TDP1 (0.47) | EGFRMAPTSGK1CAMKK2STAT3 | |
| SCHEMBL16749635 | 0.87 | MAPT (0.54) | EGFRMAPT | |
| SCHEMBL16749654 | 0.78 | RARB (0.50) | EGFRMAPTALDH1A1TSHR | |
| SCHEMBL16769641 | 0.78 | MAPT (0.44) | MAPT | |
| SCHEMBL9252696 | 0.78 | MAPT (0.62) | MAPTCA1CA2ALDH1A1LMNA | |
| SCHEMBL21182648 | 0.77 | EGFR (0.56) | EGFRMAPTSGK1CAMKK2CA12 | |
| SCHEMBL16769667 | 0.74 | TDP1 (0.48) | EGFRMAPTALDH1A1 | |
| SCHEMBL14379749 | 0.74 | LOXL2 (0.51) | MAPTSTAT3CA12CA1CA2 | |
| SCHEMBL8956806 | 0.73 | MAPT (0.78) | MAPTCA12CA1CA2CA9 |
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-3514159-A1 | ALUMINIUM METAL ORGANIC FRAMEWORK MATERIAL | The Texas A&M University System (US) | 2019-07-24 | — | — | EP | disclosed |