Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.61 |
| ▸ | THRB | P10828 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24616243 | 0.87 | CYP3A4 (0.50) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| SCHEMBL24616493 | 0.84 | CYP3A4 (0.46) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| SCHEMBL27783825 | 0.84 | CYP3A4 (0.46) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| SCHEMBL25345941 | 0.79 | GAA (0.45) | ALDH1A1CYP3A4THRBTSHRGAA | |
| SCHEMBL14318817 | 0.77 | CYP3A4 (0.65) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| SCHEMBL1353155 | 0.76 | THRB (0.67) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| SCHEMBL292270 | 0.76 | CYP3A4 (1.00) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| SCHEMBL330561 | 0.76 | CYP3A4 (0.65) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| Hydrochloric Acid SCHEMBL8840292 | 0.73 | CYP3A4 (0.61) | ALDH1A1CYP3A4THRBTSHRTP53 | |
| SCHEMBL28421611 | 0.73 | CYP3A4 (0.61) | ALDH1A1CYP3A4THRBTSHRTP53 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2870143-B1 | TRIAZOLE COMPOUNDS AS ANTIVIRALS | HOFFMANN LA ROCHE (CH) | 2017-05-17 | — | — | EP | disclosed |
| EP-2870143-B1 | TRIAZOLE COMPOUNDS AS ANTIVIRALS | HOFFMANN LA ROCHE (CH) | 2017-05-17 | — | — | EP | disclosed |
| US-20150307461-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2015-10-29 | — | — | US | disclosed |
| US-20150307461-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2015-10-29 | — | — | US | disclosed |
| US-20150307461-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2015-10-29 | — | — | US | disclosed |
| EP-2870143-A1 | TRIAZOLE COMPOUNDS AS ANTIVIRALS | F. Hoffmann-La Roche AG (CH) | 2015-05-13 | — | — | EP | disclosed |
| US-20140010783-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2014-01-09 | — | — | US | disclosed |
| US-20140010783-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2014-01-09 | — | — | US | disclosed |
| US-20140010783-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2014-01-09 | — | — | US | disclosed |
| WO-2014006066-A1 | TRIAZOLE COMPOUNDS AS ANTIVIRALS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-01-09 | — | — | WO | disclosed |
| US-5607977-A | PESTICIDES | SHELL AGRAR GMBH & CO. KG (DE) | 1997-03-04 | — | — | 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 (2 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-20150307461-A1 | ANTIVIRAL COMPOUNDS | HAVCR2, EIF2AK2, MAVS | ALDH1A1 222/4885CYP3A4 241/4885THRB 4622/4885 |
| US-20140010783-A1 | ANTIVIRAL COMPOUNDS | HAVCR2, EIF2AK2, MAVS | ALDH1A1 222/4885CYP3A4 241/4885THRB 4622/4885 |
“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.