Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR183 | P32249 | 7/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16963563 | 1.00 | GPR183 (0.43) | GPR183KCNH2MAOBHRH3CCR2 | |
| SCHEMBL16963466 | 0.90 | GPR183 (0.34) | GPR183KCNH2CCR2 | |
| SCHEMBL21313899 | 0.90 | GPR183 (0.34) | GPR183KCNH2CCR2 | |
| SCHEMBL21313886 | 0.90 | GPR183 (0.34) | GPR183 | |
| SCHEMBL16962997 | 0.90 | GPR183 (0.34) | GPR183 | |
| SCHEMBL21313868 | 0.89 | RAB9A (0.43) | GPR183CYP1A2 | |
| SCHEMBL16963404 | 0.89 | RAB9A (0.43) | GPR183CYP1A2 | |
| SCHEMBL16961653 | 0.88 | GPR183 (0.35) | GPR183KCNH2P4HB | |
| SCHEMBL21314079 | 0.88 | GPR183 (0.35) | GPR183KCNH2P4HB | |
| SCHEMBL21323334 | 0.84 | GPR183 (0.49) | GPR183KCNH2MAOBCYP1A1CYP1B1 |
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 |