Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.35 |
| ▸ | VEGFA | P15692 | 1/20 | 0.35 |
| ▸ | ARNT | P27540 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3103724 | 0.80 | KCNH2 (0.42) | KCNH2CYP3A4EPAS1VEGFAKDM4E | |
| SCHEMBL3106512 | 0.78 | CA1 (0.35) | CA1CYP2C19 | |
| SCHEMBL3102312 | 0.75 | KCNH2 (0.48) | KCNH2CYP3A4EPAS1VEGFAARNT | |
| SCHEMBL13119716 | 0.75 | KCNH2 (0.49) | KCNH2CYP3A4EPAS1VEGFAARNT | |
| SCHEMBL13096235 | 0.74 | LPO (0.34) | CA1 | |
| SCHEMBL13728769 | 0.74 | CA1 (0.46) | KDM4EXDHGLAATMUPP1 | |
| SCHEMBL13119742 | 0.73 | KCNH2 (0.45) | KCNH2CYP3A4EPAS1VEGFAARNT | |
| SCHEMBL12127662 | 0.72 | AR (0.47) | KCNH2CYP3A4EPAS1VEGFAKDM4E | |
| SCHEMBL13140960 | 0.72 | KCNH2 (0.46) | KCNH2EPAS1VEGFAARNTSLC22A12 | |
| SCHEMBL13119743 | 0.71 | KCNH2 (0.43) | KCNH2CYP3A4EPAS1VEGFAARNT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404856-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20100256181-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | disclosed |
| US-20100256181-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | disclosed |
| EP-2222661-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009067166-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009067166-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2009-05-28 | — | — | 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-20100256181-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | POLB, POLR2A, RRM2B | KCNH2 3650/4885CYP3A4 844/4885EPAS1 4178/4885 |
“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.