Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10110060 | 0.81 | AKR1C1 (0.57) | CCR2AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL18400355 | 0.75 | CCR2 (0.33) | CCR2ESR1ESR2AKR1B10AKR1C4 | |
| SCHEMBL14403441 | 0.72 | CYP3A4 (0.42) | CCR2AKR1C3AKR1C2AKR1C1CYP2C19 | |
| SCHEMBL13365075 | 0.72 | TSHR (0.42) | ESR1ESR2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL11959487 | 0.71 | ESR2 (0.46) | ESR1ESR2AKR1C1CYP2C19MEN1 | |
| SCHEMBL18213720 | 0.69 | LMNA (0.42) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL16168284 | 0.69 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL12283199 | 0.67 | CFTR (0.46) | ADORA3ADRA1A | |
| SCHEMBL24425967 | 0.67 | CYP2C19 (0.40) | CCR2ESR1ESR2AKR1B10AKR1C4 | |
| SCHEMBL11802976 | 0.67 | SLC6A4 (0.37) | CCR2ESR1ESR2CYP2C19SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586615-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-19 | — | — | US | disclosed |
| US-20120010257-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | US | disclosed |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | FIRST-CITIZENS BANK & TRUST COMPANY | 2008-07-03 | — | — | 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-20120010257-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, SCNN1G, SCNN1B | CCR2 1097/4885ESR1 3987/4885ESR2 2090/4885 |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | CFTR, SCNN1G, SCNN1B | CCR2 1097/4885ESR1 3987/4885ESR2 2090/4885 |
“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.