Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PER2 | O15055 | 1/20 | 0.36 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.36 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 5/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.32 |
| ▸ | CYP2C18 | P33260 | 4/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL15565480 | 0.84 | HTR2A (0.43) | ALDH1A1KLKB1ITKAURKALCK | |
| Hydrochloric Acid SCHEMBL17822228 | 0.83 | TDP1 (0.45) | ALDH1A1SMN1; SMN2KLKB1ITKAURKA | |
| SCHEMBL15564560 | 0.82 | ITK (0.45) | ALDH1A1KLKB1ITKAURKALCK | |
| SCHEMBL15564380 | 0.77 | ITK (0.45) | ALDH1A1KLKB1ITKCREBBPAOC3 | |
| SCHEMBL15565762 | 0.77 | ITK (0.45) | ALDH1A1KLKB1ITKCREBBPAOC3 | |
| SCHEMBL15564175 | 0.76 | HTR2A (0.46) | ALDH1A1SMN1; SMN2KLKB1ITKAURKA | |
| SCHEMBL17822254 | 0.76 | HTR2A (0.46) | ALDH1A1SMN1; SMN2KLKB1ITKAURKA | |
| SCHEMBL15564642 | 0.75 | ITK (0.41) | ALDH1A1KLKB1ITKAURKALCK | |
| SCHEMBL15564620 | 0.74 | KLKB1 (0.36) | ALDH1A1KLKB1ITKCREBBPJAK2 | |
| SCHEMBL16786480 | 0.74 | OPRM1 (0.42) | ALDH1A1KLKB1ITKAURKALCK |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160326142-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2016-11-10 | — | — | US | disclosed |
| US-20160326142-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2016-11-10 | — | — | US | disclosed |
| US-20160326142-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2016-11-10 | — | — | US | disclosed |
| CN-104781238-A | Pyrazole carboxamide compounds, compositions and methods of use | HOFFMANN LA ROCHE | 2015-07-15 | — | — | CN | disclosed |
| EP-2882718-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| US-20150158851-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2015-06-11 | — | — | US | disclosed |
| US-20150158851-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2015-06-11 | — | — | US | disclosed |
| US-20150158851-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2015-06-11 | — | — | US | disclosed |
| WO-2014023258-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | 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 (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-20150158851-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | ALDH1A1 889/4885PER2 3851/4885CRY1 2190/4885 |
| US-20160326142-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | ALDH1A1 889/4885PER2 3851/4885CRY1 2190/4885 |
“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.