Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.40 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | TYR | P14679 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL7614262 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| SCHEMBL10290619 | 0.84 | CFTR (0.36) | MAPTLMNACA2CA1CYP3A4 | |
| SCHEMBL12000933 | 0.78 | CYP3A4 (0.36) | ALDH1A1ALOX15MAPTKDM4ELMNA | |
| SCHEMBL396873 | 0.76 | ALDH1A1 (0.64) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| SCHEMBL29550866 | 0.76 | ALDH1A1 (0.64) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| SCHEMBL27806857 | 0.75 | ALDH1A1 (0.62) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| SCHEMBL12694103 | 0.74 | CA2 (0.42) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL31065280 | 0.74 | ALDH1A1 (0.61) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL16719254 | 0.74 | ALDH1A1 (0.61) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| SCHEMBL10289754 | 0.73 | MAPT (0.33) | ALDH1A1MAPTMEN1RECQLKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120122922-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-17 | — | — | US | disclosed |
| US-20100069434-A1 | Compositions of n-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED | 2010-03-18 | — | — | US | disclosed |
| US-7553855-B2 | Compositions of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| US-20080090864-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-17 | — | — | 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-20120122922-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OPRM1, GRIN2C | ALDH1A1 752/4885ALOX15 3059/4885SMN1; SMN2 238/4885 |
| US-20100069434-A1 | Compositions of n-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OPRM1, GRIN2C | ALDH1A1 752/4885ALOX15 3059/4885SMN1; SMN2 238/4885 |
| US-20080090864-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OPRM1, GRIN2C | ALDH1A1 752/4885ALOX15 3059/4885SMN1; SMN2 238/4885 |
“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.