Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13561349 | 0.87 | FYN (0.43) | LRRK2PIK3CAPDE4APDE4BPDE4C | |
| SCHEMBL13561344 | 0.80 | METAP2 (0.49) | PTGS2CHRM3METAP2 | |
| SCHEMBL17107865 | 0.75 | AKR1C3 (0.38) | RXRACTSAMETAP2 | |
| SCHEMBL13561338 | 0.75 | AKR1C3 (0.52) | RXRA | |
| SCHEMBL13561357 | 0.75 | FYN (0.42) | GRIN2BGRIN1 | |
| SCHEMBL16310944 | 0.74 | AKR1C3 (0.34) | CTSAMETAP2 | |
| SCHEMBL13561350 | 0.74 | IKBKB (0.43) | LRRK2PIK3CA | |
| SCHEMBL14651415 | 0.74 | LDHB (0.46) | PDE4D | |
| SCHEMBL9289288 | 0.74 | PTGS2 (0.47) | PTGS2IDO1NISCHCHRM2CHRM4 | |
| SCHEMBL13561336 | 0.72 | ALDH1A1 (0.45) | POLQ |
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-9504683-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150265612-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-09-24 | — | — | 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-20150265612-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | PTGS2 2570/4885IDO1 4784/4885GRIN2B 4079/4885 |
“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.