Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 17/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21877367 | 0.81 | ROCK2 (0.46) | ROCK2ROCK1MYLK4 | |
| SCHEMBL3797208 | 0.80 | AKR1C3 (0.52) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| Hydrochloric Acid SCHEMBL111598 | 0.79 | ROCK2 (0.45) | ROCK2ROCK1MYLK4 | |
| SCHEMBL18500459 | 0.77 | CYP3A4 (0.43) | ROCK2ROCK1MYLK4 | |
| SCHEMBL2431337 | 0.76 | LMNA (0.51) | — | |
| SCHEMBL12994788 | 0.75 | ALDH1A1 (0.42) | ROCK2ROCK1 | |
| SCHEMBL28729380 | 0.74 | ROCK2 (0.46) | ROCK2 | |
| SCHEMBL29931638 | 0.74 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL2436131 | 0.74 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL111703 | 0.73 | EPHX1 (0.56) | ROCK2ROCK1MYLK4 |
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-3055304-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | Eli Lilly and Company (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054060-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | ELI LILLY AND COMPANY (US) | 2015-04-16 | — | — | WO | disclosed |