Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | VEGFA | P15692 | 2/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.32 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2882436 | 0.94 | KCNH2 (0.40) | KCNH2CYP3A4CYP2C9CYP2C19PPARG | |
| SCHEMBL4556277 | 0.93 | KCNH2 (0.43) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2883919 | 0.81 | RHEB (0.31) | — | |
| SCHEMBL2878670 | 0.81 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2884021 | 0.79 | KCNH2 (0.48) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| Bromide SCHEMBL4556525 | 0.78 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2883149 | 0.78 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2881362 | 0.77 | GRM4 (0.31) | — | |
| SCHEMBL2511368 | 0.72 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL3033135 | 0.71 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19VEGFA |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121638-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-25 | — | — | EP | disclosed |
| EP-2121638-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-25 | — | — | EP | disclosed |
| US-20100286192-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | ANTHONY NEVILLE J | 2010-11-11 | — | — | US | disclosed |
| US-20100286192-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | ANTHONY NEVILLE J | 2010-11-11 | — | — | US | disclosed |
| US-20100286192-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | ANTHONY NEVILLE J | 2010-11-11 | — | — | US | disclosed |
| US-7781454-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-08-24 | — | — | US | disclosed |
| US-7781454-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-08-24 | — | — | US | disclosed |
| US-7781454-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-08-24 | — | — | US | disclosed |
| EP-2121638-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080275097-A1 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME LLC | 2008-11-06 | — | — | US | disclosed |
| US-20080275097-A1 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME LLC | 2008-11-06 | — | — | US | disclosed |
| US-20080275097-A1 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME LLC | 2008-11-06 | — | — | US | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |
| WO-2008076223-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |
| WO-2008076223-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | 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 (2 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-20080275097-A1 | Non-nucleoside reverse transcriptase inhibitors | RNGTT, RRM2B, RRM2 | KCNH2 1423/4885CYP3A4 359/4885CYP2C9 389/4885 |
| US-20100286192-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | RNGTT, RRM2B, RRM2 | KCNH2 1423/4885CYP3A4 359/4885CYP2C9 389/4885 |
“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.