Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600208 | 0.78 | CYP11B2 (0.42) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL30954127 | 0.78 | CYP11B2 (0.42) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL27432666 | 0.78 | CYP11B2 (0.42) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL27433237 | 0.75 | HTR1A (0.45) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL30954100 | 0.75 | HTR1A (0.45) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL27432572 | 0.75 | CYP11B2 (0.42) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL29209156 | 0.75 | PDE3B (0.43) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL474505 | 0.74 | CYP11B2 (0.40) | MAP3K5CYP11B2CYP11B1CHRM1PDE3B | |
| SCHEMBL21818855 | 0.74 | CYP11B2 (0.50) | CYP11B2CYP11B1CMA1PDE3BPDE3A | |
| SCHEMBL3217163 | 0.74 | LMNA (0.54) | CYP11B2CYP11B1PDE3BPDE3AUSP30 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | disclosed |
| US-20130172335-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2013-07-04 | — | — | US | disclosed |
| US-8450313-B2 | 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8268820-B2 | 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20120232071-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HUNZIKER DANIEL (CH) | 2012-09-13 | — | — | US | disclosed |
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |
| US-20100249124-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-09-30 | — | — | 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-20130172335-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | MAP3K5 1892/4885CYP11B2 9/4885CYP11B1 8/4885 |
| US-20100249124-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | MAP3K5 2007/4885CYP11B2 10/4885CYP11B1 9/4885 |
| US-20120232071-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | MAP3K5 1892/4885CYP11B2 9/4885CYP11B1 8/4885 |
“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.