Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL479995 | 1.00 | PDK2 (0.36) | PDK2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL480080 | 0.93 | PRKAB2 (0.34) | PDK2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL752284 | 0.93 | PRKAB2 (0.34) | PDK2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL479836 | 0.93 | GRIK1 (0.38) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL754464 | 0.93 | GRIK1 (0.38) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL479731 | 0.87 | RXRB (0.37) | PDK2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL480019 | 0.85 | RXRA (0.40) | PDE2ARXRARXRB | |
| SCHEMBL754909 | 0.85 | RXRA (0.40) | PDE2ARXRARXRB | |
| SCHEMBL15789769 | 0.85 | PDE2A (0.33) | AKR1C2PDE2AGAA | |
| SCHEMBL15789713 | 0.85 | GAA (0.33) | PDE2AGAA |
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-8138189-B2 | Substituted benzene compounds as modulators of the glucocorticoid receptor | HOFFMAN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-8138189-B2 | Substituted benzene compounds as modulators of the glucocorticoid receptor | HOFFMAN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20100249139-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-09-30 | — | — | US | disclosed |
| US-20100249139-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-09-30 | — | — | US | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | 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 (1 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-20100249139-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, CRHR1 | PDK2 936/4885PRKAB2 3310/4885PRKAG1 2614/4885 |
“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.