Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.41 |
| ▸ | ATXN2 | Q99700 | 3/20 | 0.41 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL17113395 | 0.89 | GPBAR1 (0.34) | GPBAR1KCNH2ENPP2ATXN2EPHX2 | |
| SCHEMBL17112994 | 0.88 | PDE5A (0.35) | GPBAR1KCNH2ENPP2ATXN2 | |
| SCHEMBL17125331 | 0.88 | ENPP2 (0.47) | GPBAR1ENPP2ATXN2LSSCFTR | |
| SCHEMBL17112931 | 0.84 | GPBAR1 (0.42) | GPBAR1KCNH2ENPP2ATXN2PANK3 | |
| SCHEMBL17124831 | 0.80 | ENPP2 (0.50) | ENPP2ATXN2CFTR | |
| SCHEMBL17113172 | 0.78 | ENPP2 (0.42) | ENPP2ATXN2 | |
| SCHEMBL21323003 | 0.78 | GPBAR1 (0.47) | GPBAR1KCNH2ENPP2ATXN2PANK3 | |
| SCHEMBL16963536 | 0.78 | GPBAR1 (0.47) | GPBAR1KCNH2ENPP2ATXN2PANK3 | |
| SCHEMBL17112952 | 0.78 | ENPP2 (0.36) | ENPP2ATXN2 | |
| SCHEMBL17112946 | 0.77 | ABCB1 (0.34) | CFTREPHX2HTR2AHTR2C |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122751-B1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | HOFFMANN LA ROCHE (CH) | 2019-10-30 | — | — | EP | claimed |
| EP-3122751-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-02-01 | — | — | EP | claimed |
| WO-2015144609-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-01 | — | — | WO | claimed |
| US-20200199155-A1 | CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2020-06-25 | — | — | US | disclosed |
| US-10669285-B2 | Condensed [1,4] diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2020-06-02 | — | — | US | disclosed |
| EP-3122751-B1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | HOFFMANN LA ROCHE (CH) | 2019-10-30 | — | — | EP | disclosed |
| EP-3122751-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-02-01 | — | — | EP | disclosed |
| US-20170008913-A1 | CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2017-01-12 | — | — | US | disclosed |
| US-20170008913-A1 | CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2017-01-12 | — | — | US | disclosed |
| WO-2015144609-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-01 | — | — | WO | disclosed |
| WO-2015144609-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-01 | — | — | 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 (3 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-10669285-B2 | Condensed [1,4] diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors | LPAR1, ENPP2, LPCAT1 | GPBAR1 2786/4885KCNH2 1127/4885ENPP2 2/4885 |
| US-20170008913-A1 | CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | LPAR1, ENPP2, LPCAT1 | GPBAR1 2786/4885KCNH2 1127/4885ENPP2 2/4885 |
| US-20200199155-A1 | CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | LPAR1, ENPP2, LPCAT1 | GPBAR1 2786/4885KCNH2 1127/4885ENPP2 2/4885 |
“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.