Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 3/20 | 0.36 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22477339 | 0.81 | CYP2A6 (0.39) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL11982666 | 0.81 | CYP2A6 (0.50) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL5898263 | 0.79 | TTR (0.39) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL6742065 | 0.79 | CYP2A6 (0.38) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL5898258 | 0.79 | TTR (0.39) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL7896912 | 0.79 | LOXL2 (0.48) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL502113 | 0.79 | CYP2A6 (0.38) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL501516 | 0.79 | CYP2A6 (0.38) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL12798262 | 0.79 | CYP2A6 (0.34) | CYP2A6ALDH1A1GRM5IDH1NOS3 | |
| SCHEMBL15958849 | 0.78 | RXRA (0.43) | CYP2A6GRM5IDH1XDH |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101784532-B | Novel HIV reverse transcriptase inhibitors | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2014-10-22 | — | — | CN | disclosed |
| US-20130078256-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2013-03-28 | — | — | US | disclosed |
| US-20130078256-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2013-03-28 | — | — | US | disclosed |
| US-20130078256-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2013-03-28 | — | — | US | disclosed |
| US-8334295-B2 | Pyrimidine derivatives as HIV reverse transcriptase inhibitors | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2012-12-18 | — | — | US | disclosed |
| US-8334295-B2 | Pyrimidine derivatives as HIV reverse transcriptase inhibitors | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2012-12-18 | — | — | US | disclosed |
| US-8334295-B2 | Pyrimidine derivatives as HIV reverse transcriptase inhibitors | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2012-12-18 | — | — | US | disclosed |
| US-20110076276-A1 | Novel HIV reverse transcriptase inhibitors | GILEAD SCIENCES, INC. (US) | 2011-03-31 | — | — | US | disclosed |
| US-20110076276-A1 | Novel HIV reverse transcriptase inhibitors | GILEAD SCIENCES, INC. (US) | 2011-03-31 | — | — | US | disclosed |
| US-20110076276-A1 | Novel HIV reverse transcriptase inhibitors | GILEAD SCIENCES, INC. (US) | 2011-03-31 | — | — | US | disclosed |
| CN-101784532-A | Novel HIV reverse transcriptase inhibitors | GILEAD SCIENCES INC | 2010-07-21 | — | — | CN | disclosed |
| EP-2167476-A2 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | Korea Research Institute Of Chemical Technology (KR) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009005674-A2 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-01-08 | — | — | WO | disclosed |
| WO-2009005674-A2 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-01-08 | — | — | WO | disclosed |
| EP-1829858-A2 | Dibenzylamine compounds and pharmaceutical use thereof | Japan Tobacco, Inc. (JP) | 2007-09-05 | — | — | EP | 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-20110076276-A1 | Novel HIV reverse transcriptase inhibitors | POLR2E, POLR1E, POLR2H | CYP2A6 1885/4885ALDH1A1 1800/4885GRM5 3614/4885 |
| US-20130078256-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | POLR2E, POLR1E, POLR2H | CYP2A6 1885/4885ALDH1A1 1800/4885GRM5 3614/4885 |
“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.