Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 3/20 | 0.41 |
| ▸ | BCR | P11274 | 3/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16963390 | 1.00 | MKNK1 (0.42) | MKNK1MKNK2ABL1BCRGHSR | |
| SCHEMBL16962981 | 0.91 | NAAA (0.45) | GHSRHTR2BNAAASLC6A7 | |
| SCHEMBL18540872 | 0.91 | NAAA (0.45) | GHSRHTR2BNAAASLC6A7 | |
| SCHEMBL21323107 | 0.90 | LSS (0.39) | GHSRCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL16963841 | 0.90 | LSS (0.39) | GHSRCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20101594 | 0.89 | MKNK1 (0.52) | MKNK1MKNK2ABL1BCRGHSR | |
| SCHEMBL16963393 | 0.86 | HTR2B (0.37) | MKNK1MKNK2ABL1BCRGHSR | |
| SCHEMBL16963777 | 0.86 | KDM5C (0.43) | HPGD | |
| SCHEMBL21322925 | 0.86 | KDM5C (0.43) | HPGD | |
| SCHEMBL21322941 | 0.85 | KDM5C (0.41) | ABL1BCRGHSRHTR2BHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900669-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |