Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16963202 | 1.00 | HTR2B (0.36) | HTR2BMGLLKDM5AROCK2HPGD | |
| SCHEMBL21313868 | 0.87 | RAB9A (0.43) | HPGDNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL16963404 | 0.87 | RAB9A (0.43) | HPGDNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL21313888 | 0.87 | MKNK1 (0.38) | HTR2BHPGDGHSRNAMPT | |
| SCHEMBL16963192 | 0.87 | GHSR (0.35) | HTR2BHPGDNPC1MAPTRAB9A | |
| SCHEMBL21313929 | 0.87 | GHSR (0.35) | HTR2BHPGDNPC1MAPTRAB9A | |
| SCHEMBL16963356 | 0.87 | MKNK1 (0.38) | HTR2BHPGDGHSRNAMPT | |
| SCHEMBL16963203 | 0.86 | HTR2B (0.39) | HTR2BMGLLHPGDGHSR | |
| SCHEMBL16963201 | 0.86 | HTR2B (0.39) | HTR2BMGLLHPGDGHSR | |
| SCHEMBL21313886 | 0.85 | GPR183 (0.34) | HPGDMEN1ALDH1A1LMNAKMT2A |
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 |