Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 12/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18197357 | 0.96 | BRD4 (0.40) | CNR2PDK2ALDH2MAOAMAOB | |
| SCHEMBL20175922 | 0.93 | PTPN11 (0.40) | CNR2CNR1MEN1ALDH1A1MAPT | |
| SCHEMBL20176129 | 0.93 | PTPN11 (0.40) | CNR2CNR1MEN1ALDH1A1MAPT | |
| SCHEMBL18197343 | 0.93 | PDK2 (0.45) | CNR2PDK2ALDH2MAOAMAOB | |
| SCHEMBL20176130 | 0.92 | MEN1 (0.41) | CNR2MAOAMAOBCNR1MEN1 | |
| SCHEMBL18197346 | 0.91 | MAPT (0.35) | CNR2MAOBCNR1MEN1USP2 | |
| SCHEMBL18197345 | 0.91 | CNR2 (0.36) | CNR2PDK2ALDH2MAOBCNR1 | |
| SCHEMBL20175914 | 0.90 | PTPN11 (0.41) | CNR2CNR1MEN1ALDH1A1MAPT | |
| SCHEMBL20175913 | 0.90 | PTPN11 (0.41) | CNR2CNR1MEN1ALDH1A1MAPT | |
| SCHEMBL18197358 | 0.89 | MAPT (0.38) | ALDH2MEN1USP2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016176343-A1 | METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2016-11-03 | — | — | WO | disclosed |