Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8249355 | 0.84 | BCAT2 (0.54) | BCAT2TSHRSIRT2SLC6A3SLC6A4 | |
| SCHEMBL132986 | 0.83 | BCAT2 (1.00) | BCAT2TSHRALDH1A1RAB9ANPC1 | |
| SCHEMBL29427545 | 0.83 | BCAT2 (1.00) | BCAT2TSHRALDH1A1RAB9ANPC1 | |
| SCHEMBL8247171 | 0.82 | BCAT2 (0.53) | BCAT2TSHRSIRT2SLC6A3SLC6A4 | |
| Benzoic Acid SCHEMBL7844975 | 0.82 | BCAT2 (0.81) | BCAT2TSHRRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1775832 | 0.81 | SLC6A3 (0.74) | BCAT2TSHRSLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL28355265 | 0.81 | BCAT2 (0.96) | BCAT2TSHRALDH1A1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL5180095 | 0.81 | BCAT2 (0.96) | BCAT2TSHRALDH1A1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL1785690 | 0.81 | BCAT2 (0.96) | BCAT2TSHRALDH1A1RAB9ANPC1 | |
| Ammonia Solution, Strong SCHEMBL28275782 | 0.81 | BCAT2 (0.96) | BCAT2TSHRALDH1A1RAB9ANPC1 |
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-109776583-A | A kind of pyridines chain conjugated system molecule derivant and its preparation method and application | 郑州大学 | 2019-05-21 | — | — | CN | disclosed |