Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4700313 | 0.93 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL4704900 | 0.92 | CYP3A4 (0.85) | CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4700978 | 0.92 | CYP3A4 (0.85) | CYP3A4CYP2C9CYP2C19CYP1A2POLB | |
| SCHEMBL4701040 | 0.92 | CYP3A4 (0.84) | CYP3A4CYP2C9CYP2C19CYP1A2MAPK1 | |
| SCHEMBL4699936 | 0.92 | CYP3A4 (0.84) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6808129 | 0.91 | CYP3A4 (0.84) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL6808138 | 0.88 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL13964181 | 0.88 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL4702932 | 0.88 | CYP3A4 (0.78) | CYP3A4CYP2C9CYP2C19CYP1A2MAPK1 | |
| SCHEMBL4703598 | 0.87 | CYP3A4 (0.77) | CYP3A4CYP2C9CYP2C19CYP1A2POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506195-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2008-10-29 | — | — | EP | disclosed |
| EP-1506195-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2005-02-16 | — | — | EP | disclosed |
| US-6806265-B2 | FOR THERAPY AND PROPHYLAXIS OF HIV INFECTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-10-19 | — | — | US | disclosed |
| US-20040006071-A1 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2004-01-08 | — | — | US | disclosed |
| WO-2003097644-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2003-11-27 | — | — | 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-20040006071-A1 | Non-nucleoside reverse transcriptase inhibitors | CBR1, POLR2H, SUB1 | CYP3A4 257/4885CYP2C9 778/4885CYP2C19 599/4885 |
“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.