Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL479642 | 1.00 | PDK1 (0.39) | PDK1PDK2PDK3PDK4SCN9A | |
| SCHEMBL479868 | 0.91 | BTK (0.38) | PDK1PDK2PDK3PDK4SCN9A | |
| SCHEMBL752907 | 0.91 | BTK (0.38) | PDK1PDK2PDK3PDK4SCN9A | |
| SCHEMBL480160 | 0.91 | PDK1 (0.43) | PDK1PDK2PDK3PDK4SMN1; SMN2 | |
| SCHEMBL480861 | 0.90 | MAPT (0.44) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL479972 | 0.88 | RAB9A (0.50) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL754762 | 0.88 | RAB9A (0.50) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL480256 | 0.87 | GRM5 (0.38) | BTKMAPTKMT2AMEN1LMNA | |
| SCHEMBL479943 | 0.86 | MAPT (0.40) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL479727 | 0.85 | RAB9A (0.42) | MAPTKMT2AMEN1LMNANPC1 |
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 | PDK1 541/4885PDK2 936/4885PDK3 1054/4885 |
“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.