Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.71 |
| ▸ | CA1 | P00915 | 6/20 | 0.71 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20145272 | 0.97 | — | — | |
| SCHEMBL276427 | 0.97 | — | — | |
| SCHEMBL18664252 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL17748959 | 0.95 | CA2 (0.71) | CA2CA1HDAC1CHRM1AKR1A1 | |
| SCHEMBL14571349 | 0.93 | CA2 (0.68) | CA2CA1HDAC1CHRM1AKR1A1 | |
| Formic Acid SCHEMBL28659958 | 0.89 | CA2 (0.63) | CA2CA1HDAC1CHRM1AKR1A1 | |
| Sulfuric Acid SCHEMBL28583675 | 0.89 | CA2 (0.63) | CA2CA1HDAC1CHRM1AKR1A1 | |
| Valpromide SCHEMBL35392 | 0.87 | CA2 (0.58) | CA2CA1HDAC1CHRM1AKR1A1 | |
| SCHEMBL28370065 | 0.87 | CA2 (0.61) | CA2CA1HDAC1CHRM1AKR1A1 | |
| SCHEMBL13375642 | 0.86 | CA2 (0.59) | CA2CA1HDAC1CHRM1AKR1A1 |
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-113045480-A | Preparation method of epimer of saxagliptin heterocyclic intermediate | 尚科生物医药（上海）有限公司 | 2021-06-29 | — | — | CN | disclosed |