Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1961753 | 0.92 | CYP3A4 (0.38) | CYP2E1CYP3A4S1PR1KMT2ASMN1; SMN2 | |
| SCHEMBL14973222 | 0.91 | CYP2E1 (0.43) | CYP2E1CYP3A4NR1I2KMT2ATSHR | |
| SCHEMBL1963830 | 0.88 | CYP3A4 (0.50) | CYP2E1CYP3A4NR1I2KMT2ATSHR | |
| SCHEMBL12578110 | 0.86 | CYP3A4 (0.42) | CYP3A4S1PR1KMT2ATSHRCASP1 | |
| SCHEMBL1958761 | 0.85 | CYP2E1 (0.42) | CYP2E1CYP3A4NR1I2KMT2ATSHR | |
| SCHEMBL1960402 | 0.85 | CYP2E1 (0.37) | CYP2E1CYP3A4NR1I2KMT2ATSHR | |
| SCHEMBL324463 | 0.84 | CYP2E1 (0.45) | CYP2E1CYP3A4NR1I2TSHRCASP1 | |
| SCHEMBL1961790 | 0.84 | CYP2E1 (0.36) | CYP2E1CYP3A4NR1I2KMT2ATSHR | |
| SCHEMBL1960017 | 0.84 | CYP2E1 (0.46) | CYP2E1CYP3A4NR1I2TSHRCASP1 | |
| SCHEMBL1961762 | 0.83 | NR1I2 (0.40) | CYP2E1CYP3A4NR1I2TSHRCASP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130136719-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-30 | — | — | US | claimed |
| EP-2504329-A1 | 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-03 | — | — | EP | claimed |
| WO-2011068715-A1 | 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | WO | claimed |
| US-20130136719-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-30 | — | — | US | disclosed |
| US-20130136719-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-30 | — | — | US | disclosed |
| US-20130136719-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-30 | — | — | US | disclosed |
| EP-2504329-A1 | 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011068715-A1 | 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | 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-20130136719-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | HAVCR2, GTF3C3, ZC3HAV1 | CYP2E1 75/4885CYP3A4 583/4885NR1I2 312/4885 |
“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.