Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.35 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL22367815 | 0.87 | CYP3A4 (0.50) | CYP3A4TSHRMAPK1POLBCD44 | |
| SCHEMBL10385743 | 0.85 | CYP3A4 (0.55) | CYP3A4TSHRMAPK1POLBCD44 | |
| SCHEMBL560086 | 0.84 | PTK2 (0.41) | TSHRPOLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2153631 | 0.81 | ALDH1A1 (0.43) | CYP3A4TSHRMAPK1POLBCYP1A2 | |
| SCHEMBL27489165 | 0.81 | CYP2C9 (0.44) | CYP3A4TSHRMAPK1POLBCYP1A2 | |
| SCHEMBL24116135 | 0.80 | CYP3A4 (0.55) | CYP3A4TSHRMAPK1POLBCYP1A2 | |
| SCHEMBL168392 | 0.80 | CYP3A4 (0.48) | CYP3A4TSHRMAPK1POLBCYP1A2 | |
| SCHEMBL30301248 | 0.80 | CYP3A4 (0.48) | CYP3A4TSHRMAPK1POLBCYP1A2 | |
| SCHEMBL7642566 | 0.79 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1POLBCD44 | |
| SCHEMBL15927489 | 0.79 | CYP3A4 (0.42) | CYP3A4TSHRMAPK1POLBCD44 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344249-B1 | PROCESSES FOR THE PREPARATION OF IVACAFTOR | LAURUS LABS LTD (IN) | 2020-10-28 | — | — | EP | disclosed |
| WO-2016181414-A1 | PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-11-17 | — | — | WO | disclosed |
| US-9090619-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-07-28 | — | — | US | disclosed |
| US-9051324-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-06-09 | — | — | US | disclosed |
| US-20140343315-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2014-11-20 | — | — | US | disclosed |
| US-20140073653-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-13 | — | — | 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 (2 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-20140343315-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | CYP3A4 1862/4885TSHR 2753/4885MAPK1 4329/4885 |
| US-20140073653-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC4 | CYP3A4 1240/4885TSHR 1553/4885MAPK1 4012/4885 |
“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.