Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3934679 | 0.87 | KCNH2 (0.39) | CYP3A4TRPM4PDK1PDK2PDK3 | |
| SCHEMBL3938386 | 0.83 | POLB (0.44) | CYP3A4TRPM4RAB9AL3MBTL1NPC1 | |
| SCHEMBL3944827 | 0.83 | CA1 (0.46) | — | |
| SCHEMBL3940954 | 0.79 | SLC2A1 (0.43) | CYP3A4NPC1SLC2A1CYP2C19MAPT | |
| SCHEMBL14306929 | 0.79 | SLC2A1 (0.43) | CYP3A4TRPM4RAB9AL3MBTL1NPC1 | |
| SCHEMBL3936191 | 0.79 | CA1 (0.48) | — | |
| SCHEMBL3937079 | 0.79 | CA2 (0.43) | MAPTKCNH2 | |
| SCHEMBL14304742 | 0.78 | CA1 (0.47) | — | |
| SCHEMBL3937628 | 0.78 | CA1 (0.49) | ALDH1A1 | |
| SCHEMBL3945113 | 0.77 | CA1 (0.43) | CYP2C19CYP1A2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2046731-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-04-15 | — | — | EP | claimed |
| WO-2008009613-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-24 | — | — | WO | claimed |
| US-20080020981-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-01-24 | — | — | US | claimed |
| EP-2046731-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008009613-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-24 | — | — | WO | disclosed |
| US-20080020981-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-01-24 | — | — | US | 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-20080020981-A1 | Non-nucleoside reverse transcriptase inhibitors | SAMHD1, HPRT1, NQO2 | CYP3A4 546/4885TRPM4 4444/4885PDK1 1083/4885 |
“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.