Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.46 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL609818 | 0.94 | TDP1 (0.58) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL467274 | 0.94 | TDP1 (0.56) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.94 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.94 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL6113289 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL9185998 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572477 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8574420 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL6139482 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572474 | 0.90 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015044962-A1 | AMORPHOUS FORM OF LEVOMILNACIPRAN HYDROCHLORIDE AND HYDRATES THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2015-04-02 | — | — | WO | claimed |
| US-20100041885-A1 | CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-02-18 | — | — | US | claimed |
| WO-2009120746-A2 | CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-10-01 | — | — | WO | claimed |
| US-20100041885-A1 | CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-02-18 | — | — | US | disclosed |
| WO-2009120746-A2 | CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-10-01 | — | — | WO | 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-20100041885-A1 | CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE | DPP4, DPP7, DPP9 | TDP1 1136/4885ALDH1A1 4140/4885CACNA2D1 494/4885 |
“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.