Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1F | P30939 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL14982007 | 0.91 | NR1I2 (0.47) | NR1I2CACNA2D1OPRM1CYP2E1PDK2 | |
| Hydrochloric Acid SCHEMBL1961448 | 0.90 | NR1I2 (0.47) | NR1I2CACNA2D1OPRM1CYP2E1PDK2 | |
| SCHEMBL1960202 | 0.89 | CYP2E1 (0.39) | NR1I2CYP2E1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL15130688 | 0.85 | NR1I2 (0.56) | NR1I2CYP2E1NPY1RCYP1A2CYP2C19 | |
| SCHEMBL1961431 | 0.84 | CACNA2D1 (0.41) | CACNA2D1OPRM1NPY1RCYP1A2CYP2C19 | |
| SCHEMBL15130760 | 0.84 | NR1I2 (0.53) | NR1I2CYP2E1NPY1RCYP1A2CYP2C19 | |
| SCHEMBL1963185 | 0.83 | NR1I2 (0.45) | NR1I2CYP2E1PDK2NPY1RALDH1A1 | |
| SCHEMBL14982018 | 0.83 | NR1I2 (0.47) | NR1I2CACNA2D1OPRM1CYP2E1PDK2 | |
| SCHEMBL1958434 | 0.82 | NR1I2 (0.47) | NR1I2CYP2E1PDK2NPY1RALDH1A1 | |
| SCHEMBL15130694 | 0.82 | NR1I2 (0.44) | NR1I2CYP2E1CYP1A2CYP2C19CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | NR1I2 312/4885CACNA2D1 4872/4885OPRM1 4338/4885 |
“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.