Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.31 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3098509 | 0.86 | KCNH2 (0.39) | CYP3A4CYP2D6CYP2C9KCNH2PRMT5 | |
| SCHEMBL3096805 | 0.78 | KCNH2 (0.40) | CYP3A4CYP2D6CYP2C9KCNH2PRMT5 | |
| SCHEMBL3146599 | 0.77 | CYP3A4 (0.73) | CYP3A4CYP2D6CYP2C9KCNH2SLC22A12 | |
| SCHEMBL3151052 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9KCNH2SLC22A12 | |
| SCHEMBL3220872 | 0.76 | DAO (0.40) | CYP3A4CYP2D6CYP2C9KCNH2SLC22A12 | |
| SCHEMBL3222210 | 0.75 | DAO (0.41) | CYP3A4CYP2D6CYP2C9KCNH2SLC22A12 | |
| SCHEMBL3145255 | 0.75 | CYP3A4 (0.65) | CYP3A4CYP2D6CYP2C9KCNH2SLC22A12 | |
| SCHEMBL3147322 | 0.74 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9KCNH2SLC22A12 | |
| SCHEMBL3208870 | 0.74 | DAO (0.47) | CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3201588 | 0.73 | CYP11B1 (0.37) | CYP3A4CYP2D6CYP2C9KCNH2SLC22A12 |
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 7 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 | claimed |
| US-20100256181-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | claimed |
| 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 |
| US-20100256181-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | 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 | CYP3A4 844/4885CYP2D6 357/4885CYP2C9 316/4885 |
“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.