Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13561353 | 0.81 | HTR2C (0.45) | ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL25499879 | 0.71 | HSP90AA1 (0.35) | CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL20674836 | 0.71 | HSP90AA1 (0.34) | CYP3A4CYP2D6TSHRHSD17B10CYP1A2 | |
| SCHEMBL19706482 | 0.70 | MDM2 (0.37) | CYP3A4CYP2D6ALOX15TSHRMAPK1 | |
| SCHEMBL26791964 | 0.70 | LOXL2 (0.35) | ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL13561346 | 0.67 | ATM (0.43) | CASRCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL18542081 | 0.67 | NPSR1 (0.62) | ALDH1A1MAPK1HSD17B10KDM4ENPSR1 | |
| SCHEMBL13562428 | 0.67 | NPC1 (0.48) | TSHRMAPK1KDM4EHTR2CLMNA | |
| SCHEMBL6754661 | 0.66 | IDO1 (0.52) | ALDH1A1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL21361203 | 0.65 | RXRA (0.41) | CASRALDH1A1TSHRKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751890-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2017-04-20 | — | — | 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 (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-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | CASR 1051/4885ALDH1A1 2397/4885EDNRB 1098/4885 |
“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.