Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CCNC | P24863 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17608650 | 0.88 | POLB (0.45) | MAPTPOLBNTRK1ALDH1A1KDM4E | |
| SCHEMBL17608253 | 0.85 | CCNC (0.47) | MAPTPOLBNTRK1ALDH1A1KDM4E | |
| SCHEMBL17608454 | 0.83 | CCNC (0.48) | MAPTPOLBNTRK1CCNCCDK8 | |
| SCHEMBL17608363 | 0.79 | CCNC (0.69) | MAPTNTRK1ALDH1A1NPC1CCNC | |
| SCHEMBL17608418 | 0.75 | CYP3A4 (0.56) | MAPTPOLBNTRK1ALDH1A1KDM4E | |
| SCHEMBL17608420 | 0.75 | TSHR (0.56) | MAPTALDH1A1KDM4ECCNCCDK8 | |
| SCHEMBL6506444 | 0.66 | HDAC1 (0.73) | MAPTPOLBALDH1A1GAALMNA | |
| SCHEMBL30035778 | 0.66 | RIPK1 (0.53) | NTRK1ALDH1A1KDM4ENPC1GAA | |
| SCHEMBL17608717 | 0.66 | TSHR (0.57) | MAPTPOLBALDH1A1KDM4EGAA | |
| SCHEMBL5412630 | 0.66 | ROCK2 (0.64) | MAPTPOLBGAAROCK2ROCK1 |
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 |