Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21877369 | 0.92 | CYP19A1 (0.46) | CYP1A2CYP19A1PRMT3ROCK1ROCK2 | |
| Hydrochloric Acid SCHEMBL111599 | 0.91 | CYP19A1 (0.44) | CYP1A2CYP19A1PRMT3ROCK1ROCK2 | |
| SCHEMBL28078254 | 0.83 | CYP19A1 (0.48) | CYP19A1PRMT3ROCK1ROCK2MYLK4 | |
| SCHEMBL30873955 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP19A1PRMT3IMPDH2 | |
| SCHEMBL28396379 | 0.79 | CYP19A1 (0.43) | CYP19A1PRMT3ROCK1ROCK2MYLK4 | |
| SCHEMBL1285452 | 0.79 | CYP1A2 (0.75) | CYP1A2HDAC1HDAC8CYP3A4CYP2D6 | |
| SCHEMBL4854939 | 0.79 | HDAC1 (0.59) | CYP1A2HDAC1HDAC8CYP3A4CYP2D6 | |
| Water SCHEMBL27348665 | 0.78 | CYP1A2 (0.73) | CYP1A2HDAC1HDAC8CYP3A4CYP2D6 | |
| SCHEMBL6115360 | 0.78 | CYP19A1 (0.49) | CYP19A1HDAC1 | |
| SCHEMBL23291124 | 0.77 | CYP19A1 (0.51) | CYP19A1ROCK1ROCK2MYLK4SMYD3 |
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 |