Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL2263333 | 0.90 | KCNH2 (0.52) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2259038 | 0.88 | KCNH2 (0.42) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2260485 | 0.84 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4IKBKB | |
| SCHEMBL2261778 | 0.83 | KCNH2 (0.41) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2265459 | 0.83 | KCNH2 (0.41) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2262391 | 0.83 | KCNH2 (0.41) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2260086 | 0.83 | KCNH2 (0.51) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2264360 | 0.82 | KCNH2 (0.40) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2260115 | 0.82 | KCNH2 (0.47) | KCNH2CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL2262209 | 0.82 | KCNH2 (0.48) | KCNH2CYP2C9PSEN1PSEN2APH1B |
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 1382/4885PSEN1 3171/4885 |
“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.