Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPRA | P18433 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL319086 | 1.00 | CYP2E1 (0.54) | CYP2E1HTTALDH1A1KDM4EMEN1 | |
| SCHEMBL319107 | 0.94 | CYP2E1 (0.61) | CYP2E1HTTALDH1A1KDM4EMEN1 | |
| SCHEMBL319108 | 0.94 | CYP2E1 (0.61) | CYP2E1HTTALDH1A1KDM4EMEN1 | |
| SCHEMBL320238 | 0.94 | CYP2E1 (0.57) | CYP2E1HTTALDH1A1KDM4ELMNA | |
| SCHEMBL320239 | 0.94 | CYP2E1 (0.57) | CYP2E1HTTALDH1A1KDM4ELMNA | |
| SCHEMBL319051 | 0.87 | CYP2E1 (0.67) | CYP2E1CHRM3HSD17B10PTGS2MAPT | |
| SCHEMBL319050 | 0.87 | CYP2E1 (0.67) | CYP2E1CHRM3HSD17B10PTGS2MAPT | |
| SCHEMBL318365 | 0.82 | KDM4E (0.40) | HTTALDH1A1KDM4ECHRM3HTR2C | |
| SCHEMBL10265449 | 0.81 | CYP2E1 (0.61) | CYP2E1ALDH1A1MEN1SMN1; SMN2MAPT | |
| SCHEMBL10265447 | 0.81 | CYP2E1 (0.58) | CYP2E1ALDH1A1KDM4ESMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130190289-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-25 | — | — | US | disclosed |
| EP-2585447-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | 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-20130190289-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | SLC10A1, ACE, CEL | CYP2E1 1027/4885HTT 1551/4885ALDH1A1 739/4885 |
“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.