Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL10228100 | 0.83 | APP (0.47) | MCL1ESR1CES2CES1KIF11 | |
| SCHEMBL9293066 | 0.81 | KMT2A (0.46) | ESR1HTTPOLBCES2CES1 | |
| SCHEMBL6671026 | 0.79 | CES2 (0.40) | MCL1ESR1HTTPOLBCES2 | |
| SCHEMBL2439167 | 0.79 | CYP19A1 (0.45) | HTTSMN1; SMN2ALDH1A1CYP19A1CNR1 | |
| SCHEMBL1107165 | 0.77 | TSHR (0.50) | HTTCES2CES1SMN1; SMN2KIF11 | |
| SCHEMBL10228094 | 0.76 | NPC1 (0.38) | ESR1HTTPOLBCES2CES1 | |
| SCHEMBL10227948 | 0.76 | KIF11 (0.40) | ESR1HTTPOLBCES2CES1 | |
| SCHEMBL9294562 | 0.76 | GABRA1 (0.38) | CES2ALDH1A1TDP1KMT2ACNR2 | |
| SCHEMBL13784782 | 0.76 | TPMT (0.39) | KIF11KMT2ACYP1A2LMNA | |
| SCHEMBL2444390 | 0.75 | LMNA (0.45) | HTTKIF11KMT2ARAB9AMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962856-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-20140121381-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-01 | — | — | US | disclosed |
| 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 (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-20120010257-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, SCNN1G, SCNN1B | MCL1 4842/4885ESR1 3987/4885HTT 3317/4885 |
| US-20140121381-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, SCNN1G, SCNN1B | MCL1 4842/4885ESR1 3987/4885HTT 3317/4885 |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | CFTR, SCNN1G, SCNN1B | MCL1 4842/4885ESR1 3987/4885HTT 3317/4885 |
“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.