Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5670529 | 0.93 | DHFR (0.42) | DHFRDNMT1ANPEPESR1ESR2 | |
| SCHEMBL30570799 | 0.80 | DNMT1 (0.50) | DHFRDNMT1GPR84WDR5TYMP | |
| SCHEMBL21020048 | 0.80 | DNMT1 (0.50) | DHFRDNMT1GPR84WDR5TYMP | |
| SCHEMBL31656347 | 0.79 | DNMT1 (0.39) | DNMT1ANPEPALDH1A1TDP1CYP2A6 | |
| Boric Acid SCHEMBL28232822 | 0.77 | CYP1A2 (0.44) | DHFRDNMT1GPR84TYMPGSK3B | |
| Boric Acid SCHEMBL30888865 | 0.76 | NSD2 (0.50) | DNMT1ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL16487398 | 0.75 | SIRT2 (0.40) | DHFRDNMT1ESR1ESR2ALDH1A1 | |
| SCHEMBL29891064 | 0.75 | SIRT2 (0.40) | DHFRDNMT1ESR1ESR2ALDH1A1 | |
| Boric Acid SCHEMBL27349237 | 0.75 | ALDH1A1 (0.45) | DHFRDNMT1GPR84WDR5TYMP | |
| Boric Acid SCHEMBL28565435 | 0.74 | CYP1A2 (0.50) | GPR84ALDH1A1TDP1CYP2A6TSHR |
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-114901646-A | Benzotriazine double oxide and pharmaceutical composition thereof | 杭州瑞臻医药有限公司 | 2022-08-12 | — | — | CN | disclosed |