Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 4/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 7/20 | 0.32 |
| ▸ | BRD2 | P25440 | 4/20 | 0.31 |
| ▸ | BRD3 | Q15059 | 4/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | RORA | P35398 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | RORB | Q92753 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL480187 | 0.92 | PDE2A (0.36) | ESR1PDK1PDK2PDK3PDK4 | |
| SCHEMBL480953 | 0.86 | CRHR1 (0.37) | PDE2ABRD4BRD2BRD3CREBBP | |
| SCHEMBL480679 | 0.85 | PDE2A (0.36) | ESR1PDK1PDK2PDK3PDK4 | |
| SCHEMBL480687 | 0.80 | S1PR2 (0.34) | BRD4KMT2A | |
| SCHEMBL753353 | 0.80 | S1PR2 (0.34) | BRD4KMT2A | |
| SCHEMBL480632 | 0.80 | PTGER4 (0.33) | BRD4KMT2A | |
| SCHEMBL754978 | 0.80 | PTGER4 (0.33) | BRD4KMT2A | |
| SCHEMBL480703 | 0.79 | CYP1A2 (0.32) | PDK2PDE2ABRD4GAAKMT2A | |
| SCHEMBL754977 | 0.79 | CYP1A2 (0.32) | PDK2PDE2ABRD4GAAKMT2A | |
| SCHEMBL480726 | 0.78 | P2RX3 (0.33) | BRD4BRD2BRD3CREBBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411361-B1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-06-18 | — | — | EP | disclosed |
| US-8138189-B2 | Substituted benzene compounds as modulators of the glucocorticoid receptor | HOFFMAN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | 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 | ESR1 390/4885PDK1 541/4885PDK2 936/4885 |
“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.