Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | LDHB | P07195 | 3/20 | 0.34 |
| ▸ | LDHA | P00338 | 3/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 3/20 | 0.33 |
| ▸ | BRAF | P15056 | 3/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | DDT | P30046 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17107865 | 0.88 | AKR1C3 (0.38) | AKR1C3AKR1C2LDHBLDHARAF1 | |
| SCHEMBL14651415 | 0.87 | LDHB (0.46) | AKR1C3AKR1C2LDHBFYNPDE2A | |
| SCHEMBL13561338 | 0.83 | AKR1C3 (0.52) | AKR1C3AKR1C2LDHBLDHADDT | |
| SCHEMBL13561344 | 0.77 | METAP2 (0.49) | AKR1C3AKR1C2METAP2 | |
| SCHEMBL13561349 | 0.76 | FYN (0.43) | FYNEGFRPRKCI | |
| SCHEMBL13561347 | 0.74 | MKNK1 (0.55) | FYN | |
| SCHEMBL17107866 | 0.74 | PTGS2 (0.42) | CTSAMETAP2 | |
| SCHEMBL13561350 | 0.74 | IKBKB (0.43) | EGFR | |
| SCHEMBL11885442 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL21780810 | 0.71 | HDAC4 (0.42) | PARP1HPGDSMETAP2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| US-9079916-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-07-14 | — | — | US | disclosed |
| US-20140371230-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-12-18 | — | — | 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 (3 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 | AKR1C3 1784/4885AKR1C2 1729/4885LDHB 2898/4885 |
| US-20150265612-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | AKR1C3 1784/4885AKR1C2 1729/4885LDHB 2898/4885 |
| US-20140371230-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | AKR1C3 1958/4885AKR1C2 1938/4885LDHB 2939/4885 |
“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.