Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 5/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23778542 | 0.87 | AKT1 (0.40) | HDAC4HDAC6CYP2C19RORCHDAC3 | |
| SCHEMBL24026837 | 0.74 | NR1H2 (0.35) | HDAC4HDAC6NR1H2NR1H3HDAC3 | |
| SCHEMBL27699362 | 0.74 | OPRL1 (0.54) | NPC1RAB9ACA12CA9KMT2A | |
| Hydrochloric Acid SCHEMBL23778482 | 0.73 | NR1H2 (0.35) | HDAC4HDAC6NR1H2NR1H3HDAC3 | |
| SCHEMBL23778481 | 0.72 | AKT1 (0.39) | HDAC4HDAC6HDAC3HDAC1RIPK1 | |
| SCHEMBL19040090 | 0.66 | CYP2C19 (0.45) | HDAC4HDAC6CYP2C19NPC1RAB9A | |
| SCHEMBL6053233 | 0.66 | CYP2C19 (0.45) | HDAC4HDAC6CYP2C19NPC1RAB9A | |
| SCHEMBL21070970 | 0.66 | CYP2C19 (0.45) | HDAC4HDAC6CYP2C19NPC1RAB9A | |
| SCHEMBL15490150 | 0.66 | TSHR (0.46) | HDAC4HDAC6CYP2C19NR1H2NR1H3 | |
| SCHEMBL23032284 | 0.66 | ALDH1A1 (0.52) | HDAC4HDAC6CYP2C19NR1H2NR1H3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3873909-A1 | NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) | AiCuris GmbH & Co. KG (DE) | 2021-09-08 | — | — | EP | disclosed |
| CN-113056467-A | 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazindole-2-carboxamide active agents against hepatitis b virus HBV | 艾库里斯有限及两合公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-113039186-A | Urea 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine active agents against hepatitis b virus HBV | 艾库里斯有限及两合公司 | 2021-06-25 | — | — | CN | disclosed |