Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 6/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | RAF1 | P04049 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL479940 | 1.00 | KMO (0.38) | KMOP2RX3HRH3RAF1SCN9A | |
| SCHEMBL755579 | 0.91 | P2RX3 (0.36) | P2RX3HRH3RAF1SCN9A | |
| SCHEMBL479839 | 0.91 | P2RX3 (0.36) | P2RX3HRH3RAF1SCN9A | |
| SCHEMBL15789682 | 0.90 | HRH3 (0.34) | KMOP2RX3HRH3RAF1 | |
| SCHEMBL15789859 | 0.89 | HRH3 (0.34) | KMOP2RX3HRH3RAF1SCN9A | |
| SCHEMBL479981 | 0.88 | KMO (0.36) | KMOP2RX3HRH3RAF1SCN9A | |
| SCHEMBL754445 | 0.88 | KMO (0.36) | KMOP2RX3HRH3RAF1SCN9A | |
| SCHEMBL733429 | 0.86 | HRH3 (0.42) | P2RX3HRH3 | |
| SCHEMBL755576 | 0.86 | HRH3 (0.42) | P2RX3HRH3 | |
| SCHEMBL479765 | 0.85 | KMO (0.37) | KMOP2RX3HRH3RAF1SCN9A |
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 | KMO 1077/4885P2RX3 696/4885HRH3 419/4885 |
“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.