Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | MGAM | O43451 | 3/20 | 0.41 |
| ▸ | SI | P14410 | 3/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28117789 | 0.92 | ABCB1 (0.50) | ABCB1MAPTMAPK1GAAMGAM | |
| SCHEMBL28837693 | 0.85 | MGAM (0.53) | ABCB1MAPTMAPK1GAAMGAM | |
| SCHEMBL28117898 | 0.84 | ERN1 (0.48) | MAPTMAPK1GAAMGAMSI | |
| SCHEMBL28118150 | 0.80 | FYN (0.46) | GAAMGAMSIMGAM2 | |
| SCHEMBL28837591 | 0.76 | TUBB4A (0.54) | MAPTRAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL28117798 | 0.75 | FYN (0.55) | MAPTGAAMGAMSIMGAM2 | |
| SCHEMBL28118147 | 0.75 | FYN (0.58) | ALDH1A1 | |
| SCHEMBL28117777 | 0.75 | MAPT (0.42) | MAPTMAPK1ALDH1A1MEN1KMT2A | |
| SCHEMBL28117707 | 0.73 | FYN (0.50) | — | |
| SCHEMBL28117662 | 0.73 | ABCB1 (0.52) | ABCB1HSD17B10TSHRALDH1A1KDM4E |
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-106279058-A | The preparation of 3,4-diaryl-1,2,5-diazole oxide and purposes | 沈阳药科大学 | 2017-01-04 | — | — | CN | disclosed |