Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.39 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 5/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PYGL | P06737 | 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 | |
|---|---|---|---|---|
| SCHEMBL10125038 | 1.00 | S1PR3 (0.39) | S1PR3CYP3A4CYP3A5P2RY2FFAR2 | |
| SCHEMBL1924081 | 1.00 | S1PR3 (0.39) | S1PR3CYP3A4CYP3A5P2RY2FFAR2 | |
| SCHEMBL1690804 | 1.00 | S1PR3 (0.39) | S1PR3CYP3A4CYP3A5P2RY2FFAR2 | |
| SCHEMBL1690967 | 1.00 | S1PR3 (0.39) | S1PR3CYP3A4CYP3A5P2RY2FFAR2 | |
| SCHEMBL16678081 | 0.89 | FFAR2 (0.38) | S1PR3FFAR2CCNE1CDK2CDK5 | |
| SCHEMBL14145310 | 0.89 | S1PR3 (0.37) | S1PR3CYP3A4CYP3A5P2RY2FFAR2 | |
| SCHEMBL12377971 | 0.89 | FFAR2 (0.35) | S1PR3CYP3A4CYP3A5FFAR2CCNE1 | |
| SCHEMBL10125058 | 0.88 | LCK (0.35) | S1PR3P2RY2FFAR2CCNE1CDK2 | |
| SCHEMBL16681690 | 0.88 | LCK (0.35) | S1PR3P2RY2FFAR2CCNE1CDK2 | |
| SCHEMBL1926160 | 0.88 | LCK (0.35) | S1PR3P2RY2FFAR2CCNE1CDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9856248-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-01-02 | — | — | US | disclosed |
| US-20170174675-A9 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED | 2017-06-22 | — | — | US | disclosed |
| US-20160237079-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMA (US) | 2016-08-18 | — | — | US | disclosed |
| EP-1912983-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2011-06-08 | — | — | EP | 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-20170174675-A9 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | CFTR, SCNN1G, SCNN1B | S1PR3 585/4885CYP3A4 3617/4885CYP3A5 4032/4885 |
| US-20160237079-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | CFTR, SCNN1G, SCNN1B | S1PR3 585/4885CYP3A4 3617/4885CYP3A5 4032/4885 |
“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.