Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | VDR | P11473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | G6PD | P11413 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6490 | 0.86 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| SCHEMBL30862469 | 0.84 | GAA (0.56) | GAACA1CA2CA12CA3 | |
| Water SCHEMBL3352692 | 0.84 | GAA (0.56) | GAACA1CA2CA12CA3 | |
| SCHEMBL5314186 | 0.81 | BCHE (0.54) | GAACA1CA2CA12CA3 | |
| SCHEMBL66115 | 0.80 | GAA (0.52) | GAACA1CA2CA12CA3 | |
| SCHEMBL2966008 | 0.80 | GAA (0.52) | GAACA1CA2CA12CA3 | |
| SCHEMBL344977 | 0.80 | GAA (0.52) | GAACA1CA2CA12CA3 | |
| SCHEMBL526315 | 0.78 | GAA (0.50) | GAACA1CA2CA12CA3 | |
| SCHEMBL5581695 | 0.78 | GAA (0.50) | GAACA1CA2CA12CA3 | |
| SCHEMBL3267933 | 0.78 | HTT (0.53) | GAACA1CA2CA12CA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9174930-B2 | Preparation of sitagliptin intermediates | LEK PHARMACEUTICALS D.D. (SI) | 2015-11-03 | — | — | US | claimed |
| US-20140213810-A1 | PREPARATION OF SITAGLIPTIN INTERMEDIATES | LEK PHARMACEUTICALS D.D. (SI) | 2014-07-31 | — | — | US | claimed |
| EP-2508506-A1 | Preparation of sitagliptin intermediates | LEK Pharmaceuticals d.d. (SI) | 2012-10-10 | — | — | EP | claimed |
| US-6033826-A | POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140213810-A1 | PREPARATION OF SITAGLIPTIN INTERMEDIATES | DPP4, DPP3, DPP9 | GAA 622/4885CA1 3144/4885CA2 2732/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.