Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 9/20 | 0.36 |
| ▸ | CA2 | P00918 | 9/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 3/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2637922 | 1.00 | CYP3A4 (0.40) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2638236 | 0.94 | CYP3A4 (0.39) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2641329 | 0.94 | CYP3A4 (0.39) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL5169997 | 0.94 | CYP3A4 (0.39) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL5170005 | 0.94 | CYP3A4 (0.39) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL3833407 | 0.94 | CYP3A4 (0.42) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2638552 | 0.89 | CYP3A4 (0.42) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2638424 | 0.88 | CYP3A4 (0.43) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2638373 | 0.88 | CYP3A4 (0.41) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL3833330 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4810529-B2 | — | — | 2011-11-09 | — | — | JP | claimed |
| EP-1742908-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-01-17 | — | — | EP | claimed |
| WO-2005102989-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-03 | — | — | WO | claimed |
| US-20050239881-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2005-10-27 | — | — | 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-20050239881-A1 | Non-nucleoside reverse transcriptase inhibitors | RPP30, PNP, RTF1 | CYP3A4 2342/4885CA1 4809/4885CA2 4789/4885 |
“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.