Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 3/20 | 0.42 |
| ▸ | RARG | P13631 | 3/20 | 0.42 |
| ▸ | RARA | P10276 | 2/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13673969 | 0.86 | PARP1 (0.41) | NOTUMPARP1PTGS1PTGS2RARB | |
| SCHEMBL506223 | 0.84 | NOTUM (0.46) | NOTUMPTGS1PTGS2RARBRARG | |
| SCHEMBL13318332 | 0.84 | NOTUM (0.46) | NOTUMPTGS1PTGS2RARBRARG | |
| SCHEMBL3548248 | 0.84 | NOTUM (0.46) | NOTUMPTGS1PTGS2RARBRARG | |
| SCHEMBL3550976 | 0.84 | RARB (0.47) | NOTUMPTGS1PTGS2RARBRARG | |
| SCHEMBL13547946 | 0.81 | PTGS2 (0.44) | NOTUMPTGS1PTGS2RARBRARG | |
| SCHEMBL5782492 | 0.81 | RARB (0.45) | NOTUMPARP1PTGS1PTGS2RARB | |
| SCHEMBL18656430 | 0.81 | NOTUM (0.43) | NOTUMPTGS1PTGS2RARBRARG | |
| SCHEMBL5658006 | 0.81 | BACE1 (0.45) | NOTUMPTGS1PTGS2RARBRARG | |
| SCHEMBL5780794 | 0.81 | PTGS2 (0.44) | NOTUMPTGS1PTGS2RARBRARG |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140371223-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | ADDEX PHARMA S.A. (CH) | 2014-12-18 | — | — | US | disclosed |
| US-8779129-B2 | Triazinedione derivatives as GABAB receptor modulators | ADDEX PHARMA S.A. (CH) | 2014-07-15 | — | — | US | disclosed |
| EP-2662366-A1 | Novel triazinedione derivatives as GABA-B receptor modulators | ADDEX Pharma S.A. (CH) | 2013-11-13 | — | — | EP | disclosed |
| US-20130123262-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | ADDEX PHARMA S.A. (CH) | 2013-05-16 | — | — | US | disclosed |
| US-8354429-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2013-01-15 | — | — | US | disclosed |
| US-8318733-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-27 | — | — | US | disclosed |
| WO-2012138670-A1 | PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR | GILEAD SCIENCES, INC. (US) | 2012-10-11 | — | — | WO | disclosed |
| EP-2220076-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2012-01-18 | — | — | EP | disclosed |
| US-7973038-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-05 | — | — | US | disclosed |
| US-20100311735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2010-12-09 | — | — | US | disclosed |
| US-7741321-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-22 | — | — | US | disclosed |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-06-04 | — | — | US | disclosed |
| WO-2009062285-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |
| WO-2009062308-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |
| US-20080306062-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2008-12-11 | — | — | US | disclosed |
| US-20080113985-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-05-15 | — | — | US | disclosed |
| EP-0044979-B1 | DERIVATIVES OF 2-FLUORO-ALKANECARBOXYLIC ACIDS, THEIR PREPARATION, HERBICIDES COMPRISING THEM AND THEIR APPLICATION | BASF Aktiengesellschaft (DE) | 1983-11-02 | — | — | 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 (6 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-20140371223-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | CHRNA5, GABRA5, GABRB3 | NOTUM 2589/4885PARP1 3835/4885PTGS1 2202/4885 |
| US-20080113985-A1 | Modulators of ATP-binding cassette transporters | CFTR, ABCB1, ABCC2 | NOTUM 3540/4885PARP1 4261/4885PTGS1 1804/4885 |
| US-20080306062-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NOTUM 3540/4885PARP1 4261/4885PTGS1 1804/4885 |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | NOTUM 3520/4885PARP1 4362/4885PTGS1 1957/4885 |
| US-20100311735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, POLR1E | NOTUM 3137/4885PARP1 533/4885PTGS1 2732/4885 |
| US-20130123262-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | CHRNA5, GABRA5, GABRB3 | NOTUM 2589/4885PARP1 3835/4885PTGS1 2202/4885 |
“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.