Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 12/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 11/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2263668 | 0.91 | KCNH2 (0.46) | KCNH2CYP2C9NR1H2NR1H3GPR119 | |
| SCHEMBL2259866 | 0.91 | KCNH2 (0.47) | KCNH2CYP2C9NR1H2NR1H3GPR119 | |
| SCHEMBL2261155 | 0.90 | KCNH2 (0.43) | KCNH2CYP2C9NR1H2NR1H3CDK1 | |
| SCHEMBL2263621 | 0.86 | KCNH2 (0.56) | KCNH2CYP2C9JAK2CDK1CDK4 | |
| SCHEMBL2261644 | 0.86 | KCNH2 (0.43) | KCNH2CYP2C9NR1H2NR1H3GPR119 | |
| SCHEMBL2265459 | 0.85 | KCNH2 (0.41) | KCNH2CYP2C9NR1H2NR1H3GPR119 | |
| SCHEMBL2262093 | 0.85 | KCNH2 (0.51) | KCNH2CYP2C9JAK2BRD4CDK1 | |
| SCHEMBL2263700 | 0.81 | KCNH2 (0.53) | KCNH2CYP2C9CDK1CDK4CCND1 | |
| SCHEMBL2262219 | 0.80 | KCNH2 (0.44) | KCNH2CYP2C9JAK2BRD4 | |
| SCHEMBL2260009 | 0.80 | KCNH2 (0.39) | KCNH2CYP2C9NR1H2NR1H3GPR119 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2089384-B1 | 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-08-05 | — | — | EP | claimed |
| US-7998969-B2 | enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases | ROCHE PALO ALTO LLC (US) | 2011-08-16 | — | — | US | claimed |
| US-20080146595-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | claimed |
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-20080146595-A1 | Non-nucleoside reverse transcriptase inhibitors | NQO2, SAMHD1, POLR2A | KCNH2 4033/4885CYP2C9 1382/4885NR1H2 746/4885 |
“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.