Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 2/20 | 0.69 |
| ▸ | CDK8 | P49336 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.49 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.49 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17608418 | 0.89 | CYP3A4 (0.56) | CCNCCDK8CYP3A4CYP2C9TSHR | |
| SCHEMBL17608420 | 0.89 | TSHR (0.56) | CCNCCDK8CYP3A4CYP2C9TSHR | |
| SCHEMBL17608520 | 0.81 | JAK2 (0.46) | CCNCCDK8LMNARAB9AMEN1 | |
| SCHEMBL17608387 | 0.80 | CDK8 (0.68) | CCNCCDK8PARP1CSNK1D | |
| SCHEMBL17608640 | 0.79 | MAPT (0.48) | CCNCCDK8CYP3A4CYP2C9TSHR | |
| SCHEMBL17608717 | 0.78 | TSHR (0.57) | CCNCCDK8CYP3A4CYP2C9TSHR | |
| SCHEMBL17608579 | 0.78 | CCNC (0.51) | CCNCCDK8CYP3A4CYP2C9TSHR | |
| SCHEMBL17608642 | 0.77 | CCNC (0.71) | CCNCCDK8CHEK1CSNK1DCDK7 | |
| SCHEMBL17608648 | 0.76 | CCNC (0.72) | CCNCCDK8CHEK1CSNK1DCDK7 | |
| SCHEMBL30147526 | 0.76 | CCNC (0.50) | CCNCCDK8TLR9TLR8TLR7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016041618-A1 | SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES | MERCK PATENT GMBH (DE) | 2016-03-24 | — | — | WO | claimed |
| WO-2016041618-A1 | SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES | MERCK PATENT GMBH (DE) | 2016-03-24 | — | — | WO | disclosed |
| WO-2016041618-A1 | SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES | MERCK PATENT GMBH (DE) | 2016-03-24 | — | — | WO | disclosed |