Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763076 | 0.75 | CHRNB2 (0.42) | RIPK1CHRNA7MAPTCYP2C19ALDH1A1 | |
| SCHEMBL1763075 | 0.75 | CHRNB2 (0.42) | RIPK1CHRNA7MAPTCYP2C19ALDH1A1 | |
| SCHEMBL1763911 | 0.75 | CHRNB2 (0.42) | RIPK1CHRNA7MAPTCYP2C19ALDH1A1 | |
| SCHEMBL17437059 | 0.66 | CNR1 (0.57) | CNR1CNR2RIPK1 | |
| SCHEMBL17437057 | 0.66 | CNR1 (0.57) | CNR1CNR2RIPK1 | |
| SCHEMBL12604447 | 0.65 | CHRNB2 (0.37) | RIPK1CHRNA7ALDH1A1 | |
| SCHEMBL12215972 | 0.61 | RAB9A (0.61) | MAPTCYP3A4CYP2C19KDM4ETHPO | |
| SCHEMBL1899820 | 0.59 | NPC1 (0.47) | ROCK2MAPTHTTCYP3A4CYP2C19 | |
| SCHEMBL29951316 | 0.59 | CCR1 (0.48) | ROCK2KDM4EALDH1A1 | |
| SCHEMBL2007579 | 0.59 | CCR1 (0.48) | ROCK2KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3169678-A1 | NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS | Merck Patent GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| WO-2016009076-A1 | NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS | MERCK PATENT GMBH (DE) | 2016-01-21 | — | — | WO | disclosed |