Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GPR183 | P32249 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16963007 | 1.00 | RAB9A (0.47) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL21322985 | 1.00 | RAB9A (0.47) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL16963005 | 1.00 | RAB9A (0.47) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL16963405 | 0.92 | RAB9A (0.42) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL21322924 | 0.92 | RAB9A (0.42) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL16963403 | 0.92 | RAB9A (0.42) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL21322911 | 0.92 | GPR183 (0.42) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL16963769 | 0.92 | GPR183 (0.42) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL16963767 | 0.92 | GPR183 (0.42) | RAB9ASMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL21323347 | 0.91 | GPR183 (0.48) | RAB9ANPC1LMNAGPR183KMT2A |
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 |