Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.56 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.56 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL109226 | 1.00 | CYP2C19 (0.57) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL12094206 | 0.92 | CYP2C19 (0.54) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL8927381 | 0.91 | MAPT (0.53) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL12526245 | 0.91 | CYP2C19 (0.50) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL29575028 | 0.87 | L3MBTL1 (0.50) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL5585028 | 0.87 | ALDH1A1 (0.50) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL2711223 | 0.87 | CYP2C19 (0.54) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL8927765 | 0.86 | MAPK9 (0.49) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL21876214 | 0.86 | ALDH1A1 (0.50) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL21876212 | 0.86 | ALDH1A1 (0.50) | CYP2C19ALDH1A1CYP1A2CYP3A4MAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11052092-B2 | N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases | GENFIT (FR) | 2021-07-06 | — | — | US | disclosed |
| EP-2931708-B1 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | DIVERCHIM (FR) | 2017-05-10 | — | — | EP | disclosed |
| EP-2016065-B1 | 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS | VERTEX PHARMA (US) | 2012-09-19 | — | — | EP | disclosed |
| US-8236789-B2 | 1-adamantyl azetidin-2-one derivatives and drugs containing same | KOWA COMPANY, LTD. (JP) | 2012-08-07 | — | — | US | disclosed |
| EP-2404919-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2012-01-11 | — | — | EP | disclosed |
| US-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-15 | — | — | US | disclosed |
| EP-2322505-A1 | 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME | Kowa Company, Ltd. (JP) | 2011-05-18 | — | — | EP | disclosed |
| US-20100075943-A1 | 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME | KOWA COMPANY, LTD., (JP) | 2010-03-25 | — | — | US | disclosed |
| US-7645789-B2 | Indole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-12 | — | — | US | disclosed |
| US-20090131492-A1 | Indole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED | 2009-05-21 | — | — | US | disclosed |
| WO-2009006315-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR TREATING CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-08 | — | — | WO | disclosed |
| WO-2007056341-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | 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 (4 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-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP2C19 2852/4885ALDH1A1 1892/4885CYP1A2 2498/4885 |
| US-11052092-B2 | N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases | RORA, RORC, RORB | CYP2C19 1819/4885ALDH1A1 118/4885CYP1A2 137/4885 |
| US-20100075943-A1 | 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME | HSD11B1, HSD3B1, CYP46A1 | CYP2C19 106/4885ALDH1A1 169/4885CYP1A2 96/4885 |
| US-20090131492-A1 | Indole derivatives as CFTR modulators | CFTR, ABCB1, ABCB11 | CYP2C19 1322/4885ALDH1A1 1620/4885CYP1A2 1231/4885 |
“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.