Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 2/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15984410 | 0.83 | KCNH3 (0.55) | PDE5ACA1CA2CA9CA12 | |
| SCHEMBL17033141 | 0.79 | NPC1 (0.43) | PDE5ACA1CA2CA9CA12 | |
| SCHEMBL15984406 | 0.79 | CA1 (0.54) | CHATENPP3ENPP1PDE5ACA1 | |
| SCHEMBL16213866 | 0.79 | SNCA (0.44) | CHATENPP3ENPP1CA1CA2 | |
| SCHEMBL16213850 | 0.77 | NPC1 (0.51) | ROCK1NPC1RAB9ANOD1POLB | |
| SCHEMBL16213863 | 0.74 | CA1 (0.37) | CHATENPP3ENPP1PDE5ACA1 | |
| SCHEMBL17808450 | 0.74 | CA1 (0.44) | CHATENPP3ENPP1ROCK1PDE5A | |
| SCHEMBL14817406 | 0.74 | CA9 (0.55) | CHATENPP3ENPP1ROCK1CA1 | |
| SCHEMBL14817410 | 0.74 | CA12 (0.44) | CHATENPP3ENPP1ROCK1PDE5A | |
| SCHEMBL17808448 | 0.73 | KCNH3 (0.44) | CHATENPP3ENPP1ROCK1PDE5A |
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 |
|---|---|---|---|---|---|---|---|
| US-8876915-B2 | Coloring composition and ink for inkjet recording | FUJIFILM CORPORATION (JP) | 2014-11-04 | — | — | US | disclosed |