Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL29489680 | 1.00 | ADRB1 (0.50) | ADRB1ALDH1A1NPSR1TSHRMAPK1 | |
| Oxalic Acid SCHEMBL29732442 | 0.91 | ALDH1A1 (0.49) | ADRB1ALDH1A1NPSR1TSHRMAPK1 | |
| Oxalic Acid SCHEMBL22721079 | 0.91 | ALDH1A1 (0.49) | ADRB1ALDH1A1NPSR1TSHRMAPK1 | |
| SCHEMBL22720933 | 0.85 | ALDH1A1 (0.50) | ADRB1ALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL22728607 | 0.81 | ADRB1 (0.57) | ADRB1ALDH1A1NPSR1TSHRMAPK1 | |
| SCHEMBL29489679 | 0.81 | ADRB1 (0.57) | ADRB1ALDH1A1NPSR1TSHRMAPK1 | |
| SCHEMBL1500721 | 0.78 | ADRB1 (0.53) | ADRB1ALDH1A1NPSR1TSHRMAPK1 | |
| Oxalic Acid SCHEMBL22721077 | 0.77 | MAPT (0.44) | ALDH1A1TSHRLMNAHPGDMAPT | |
| SCHEMBL13243993 | 0.76 | ADRB1 (0.65) | ADRB1ALDH1A1NPSR1TSHRMAPK1 | |
| SCHEMBL11504386 | 0.74 | ADRB1 (0.62) | ADRB1ALDH1A1NPSR1TSHRMAPK1 |
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-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |