Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2264155 | 0.90 | KCNH2 (0.53) | KCNH2CYP2C9CYP2C19CCNKCDK12 | |
| SCHEMBL2261644 | 0.89 | KCNH2 (0.43) | KCNH2CYP2C9CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2262338 | 0.88 | KCNH2 (0.47) | KCNH2CYP2C9ADORA1ABCC3ESR1 | |
| SCHEMBL2259839 | 0.87 | KCNH2 (0.47) | KCNH2CYP2C9ADORA1PSEN1PSEN2 | |
| SCHEMBL2262939 | 0.86 | KCNH2 (0.48) | KCNH2CYP2C9ADORA1ABCC3ESR1 | |
| SCHEMBL2263186 | 0.85 | KCNH2 (0.56) | KCNH2CYP2C9ADORA1ABCC3ESR1 | |
| SCHEMBL2262093 | 0.85 | KCNH2 (0.51) | KCNH2CYP2C9ADORA1ABCC3ESR1 | |
| SCHEMBL2264021 | 0.84 | KCNH2 (0.50) | KCNH2CYP2C9ADORA1ABCC3ESR1 | |
| SCHEMBL2263668 | 0.83 | KCNH2 (0.46) | KCNH2CYP2C9ADORA1ABCC3ESR1 | |
| SCHEMBL2262209 | 0.83 | KCNH2 (0.48) | KCNH2CYP2C9ADORA1ABCC3ESR1 |
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 1382/4885ADORA1 54/4885 |
“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.