Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.47 |
| ▸ | NOS3 | P29474 | 4/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5036404 | 0.84 | NOS2 (0.46) | NOS2NOS3ROCK1IDO1 | |
| SCHEMBL3906522 | 0.82 | MPO (0.43) | NOS2NOS3IDO1 | |
| SCHEMBL9694376 | 0.81 | CYP17A1 (0.44) | NOS2NOS3ROCK1ALDH1A1RAB9A | |
| SCHEMBL7499087 | 0.81 | LTA4H (0.43) | NOS2NOS3ROCK1LTA4H | |
| SCHEMBL9535888 | 0.81 | ALDH1A1 (0.51) | ROCK1LTA4HIDO1NPC1ALDH1A1 | |
| SCHEMBL5249618 | 0.79 | MPO (0.46) | LTA4HIDO1 | |
| SCHEMBL9390459 | 0.79 | NOS3 (0.52) | NOS2NOS3NOS1LTA4HNPC1 | |
| SCHEMBL22068695 | 0.78 | NOS2 (0.47) | NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL30612294 | 0.75 | NOS3 (0.38) | NOS2NOS3 | |
| SCHEMBL26921776 | 0.75 | CHRNA1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |