Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 8/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.37 |
| ▸ | OXTR | P30559 | 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 | |
|---|---|---|---|---|
| SCHEMBL16201994 | 0.80 | HTT (0.53) | HTTRAB9ANPC1HDAC4MAPT | |
| SCHEMBL8222456 | 0.79 | HTT (0.51) | HTTRAB9ANPC1HDAC4MAPT | |
| SCHEMBL17924409 | 0.79 | HTT (0.51) | HTTRAB9ANPC1HDAC4MAPT | |
| SCHEMBL17090986 | 0.79 | HTT (0.51) | HTTRAB9ANPC1HDAC4MAPT | |
| Hydrochloric Acid SCHEMBL17091212 | 0.77 | HTT (0.50) | HTTRAB9ANPC1HDAC4MAPT | |
| SCHEMBL21508059 | 0.76 | NOS1 (0.42) | PARP1PARP2RAB9ANPC1MAPT | |
| SCHEMBL8221095 | 0.75 | HTT (0.43) | HTTRAB9ANPC1HDAC4MAPT | |
| SCHEMBL12422701 | 0.75 | HTT (0.59) | HTTRAB9ANPC1HDAC4MAPT | |
| SCHEMBL18725064 | 0.74 | HTT (0.58) | HTTRAB9ANPC1HDAC4MAPT | |
| SCHEMBL20868291 | 0.72 | NOTUM (0.58) | PARP1PARP2PARP3NCF1LOXL2 |
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-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |