Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL18909210 | 0.92 | ALDH1A1 (0.39) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL18915160 | 0.89 | CXCR4 (0.36) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL18911150 | 0.82 | L3MBTL1 (0.46) | NAMPTALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL18911334 | 0.82 | RECQL (0.41) | NAMPTALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL18911139 | 0.80 | NAMPT (0.44) | NAMPTALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL18911149 | 0.80 | ALOX15 (0.54) | NAMPTALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL18911137 | 0.77 | GAA (0.55) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL18894216 | 0.77 | ALOX15 (0.50) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL18909466 | 0.76 | KDM4E (0.53) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL18911153 | 0.74 | ALOX15 (0.51) | NAMPTALDH1A1KDM4EGAAKMT2A |
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-2017089849-A1 | NEW 6-OXA-3,9, 15-TRIAZA-BICYCLO[9.3.1 ]PENTADEC A- 1 ( 14), 1 1 ( 15), 12-TRIENE DERIVATIVES BASED COMPOUNDS AND THEIR APPLICATION AS LIGANDS OF ESSENTIAL METAL ION BASED MRI AND 52MN BASED PET CONTRAST AGENTS | DEBRECENI EGYETEM (HU) | 2017-06-01 | — | — | WO | disclosed |