Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.31 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5742832 | 0.91 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5744780 | 0.90 | CYP2C9 (0.64) | CYP2C9CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5778144 | 0.89 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5244757 | 0.88 | CYP3A4 (0.65) | CYP2C9CYP3A4CYP2C19CYP1A2PDE10A | |
| SCHEMBL5779285 | 0.88 | CYP3A4 (0.52) | CYP2C9CYP3A4CYP2C19CYP1A2DCLK1 | |
| Hydrochloric Acid SCHEMBL5243727 | 0.87 | CYP3A4 (0.64) | CYP2C9CYP3A4CYP2C19CYP1A2PDE10A | |
| SCHEMBL5743638 | 0.87 | CYP3A4 (0.41) | CYP2C9CYP3A4CYP2C19CYP1A2DCLK1 | |
| Ether SCHEMBL5358570 | 0.85 | CYP3A4 (0.61) | CYP2C9CYP3A4CYP2C19CYP1A2PDE10A | |
| SCHEMBL5768478 | 0.85 | CYP3A4 (0.50) | CYP2C9CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL14383886 | 0.84 | CYP2C9 (0.66) | CYP2C9CYP3A4CYP2C19CYP1A2PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1655300-A1 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2006-05-10 | — | — | EP | disclosed |
| EP-1294720-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM CA LTD (CA) | 2006-04-05 | — | — | EP | disclosed |
| US-6420359-B1 | 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2002-07-16 | — | — | US | disclosed |
| US-20020028807-A1 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2002-03-07 | — | — | 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-20020028807-A1 | Non-nucleoside reverse transcriptase inhibitors | REV1, POLR2H, POLR2E | CYP2C9 1933/4885CYP3A4 560/4885CYP2C19 1639/4885 |
“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.