Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ATXN2 | Q99700 | 3/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16962914 | 1.00 | RAB9A (0.50) | RAB9ANPC1TP53ATXN2ENPP2 | |
| SCHEMBL16962917 | 0.85 | RAB9A (0.48) | RAB9ANPC1TP53ATXN2ENPP2 | |
| SCHEMBL20101596 | 0.85 | CYP3A4 (0.48) | RAB9ANPC1TP53ENPP2MAPT | |
| SCHEMBL21323017 | 0.84 | MEN1 (0.43) | RAB9ANPC1ATXN2ENPP2MEN1 | |
| SCHEMBL16963443 | 0.84 | MEN1 (0.43) | RAB9ANPC1ATXN2ENPP2MEN1 | |
| SCHEMBL16963441 | 0.84 | MEN1 (0.43) | RAB9ANPC1ATXN2ENPP2MEN1 | |
| SCHEMBL16963082 | 0.84 | LMNA (0.54) | NPC1TP53ATXN2ENPP2MAPT | |
| SCHEMBL21322928 | 0.84 | GAA (0.50) | RAB9ATP53ATXN2ENPP2SMN1; SMN2 | |
| SCHEMBL16962020 | 0.84 | GAA (0.50) | RAB9ATP53ATXN2ENPP2SMN1; SMN2 | |
| SCHEMBL16962023 | 0.84 | GAA (0.50) | RAB9ATP53ATXN2ENPP2SMN1; SMN2 |
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 |