Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.38 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL696750 | 0.90 | CA2 (0.48) | CA2CA12CA1CA9CHKA | |
| SCHEMBL3828888 | 0.88 | CA2 (0.46) | CA2CA12CA1CA9CHKA | |
| SCHEMBL3827972 | 0.88 | CA2 (0.46) | CA2CA12CA1CA9CHKA | |
| Hydrochloric Acid SCHEMBL6898768 | 0.88 | CA2 (0.46) | CA2CA12CA1CA9CHKA | |
| SCHEMBL3100695 | 0.88 | CA2 (0.46) | CA2CA12CA1CA9CHKA | |
| Trifluoroacetic Acid SCHEMBL22233151 | 0.84 | PKM (0.47) | CA2CA12CA1CA9CHKA | |
| SCHEMBL28950008 | 0.82 | CA2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL14044902 | 0.81 | CA2 (0.48) | CA2CA12CA1CA9CHKA | |
| SCHEMBL3832932 | 0.79 | CA2 (0.47) | CA2CA12CA1CA9CHKA | |
| SCHEMBL3833764 | 0.79 | CA2 (0.47) | CA2CA12CA1CA9CHKA |
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-115260200-B | Preparation method of sitagliptin intermediate | 宿迁阿尔法科技有限公司 | 2024-03-26 | — | — | CN | disclosed |