Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 7/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17047153 | 1.00 | CYP2C19 (0.47) | CYP2C19HIF1APKMKIF11SCN5A | |
| SCHEMBL15741697 | 0.83 | CYP2C19 (0.50) | CYP2C19HIF1APKMKIF11SCN5A | |
| SCHEMBL167044 | 0.81 | CYP2C19 (0.64) | CYP2C19HIF1AKIF11CYP1A2 | |
| SCHEMBL2300536 | 0.81 | CYP2C19 (0.64) | CYP2C19HIF1AKIF11CYP1A2 | |
| SCHEMBL2295046 | 0.81 | CYP2C19 (0.64) | CYP2C19HIF1AKIF11CYP1A2 | |
| SCHEMBL19283487 | 0.81 | CYP2C19 (0.47) | CYP2C19HIF1ACYP1A2POLB | |
| SCHEMBL21981929 | 0.81 | CYP2C19 (0.47) | CYP2C19HIF1AKIF11CYP1A2PARP1 | |
| SCHEMBL21981930 | 0.81 | CYP2C19 (0.47) | CYP2C19HIF1AKIF11CYP1A2PARP1 | |
| SCHEMBL5633629 | 0.81 | KCNN4 (0.51) | CYP2C19HIF1AKIF11CYP1A2PARP1 | |
| SCHEMBL17047210 | 0.80 | MIF (0.61) | CYP2C19HIF1AKIF11CYP1A2MIF |
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-3110802-B1 | ETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-10-10 | — | — | EP | disclosed |
| US-9725416-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-08-08 | — | — | US | disclosed |
| EP-3110802-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2017-01-04 | — | — | EP | disclosed |
| US-20160362383-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-12-15 | — | — | US | disclosed |
| WO-2015128307-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-03 | — | — | 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-20160362383-A1 | ETHYNYL DERIVATIVES | GRIA4, GRM4, GRM2 | CYP2C19 3251/4885HIF1A 1453/4885PKM 2131/4885 |
“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.