Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16030670 | 0.83 | CYP2A6 (0.48) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7629318 | 0.78 | SMN1; SMN2 (0.55) | SMN1; SMN2 | |
| SCHEMBL16031499 | 0.77 | PTGES (0.45) | CYP2A6CYP2C9CYP2B6CYP2C19PTGES | |
| SCHEMBL16151063 | 0.75 | CYP2A6 (0.44) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL28825667 | 0.74 | CYP2A6 (0.41) | CYP2A6GRM5 | |
| SCHEMBL3796332 | 0.72 | CYP2A6 (0.67) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL30963914 | 0.72 | CYP2A6 (0.50) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL2806200 | 0.72 | CYP2A6 (0.50) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL2842557 | 0.69 | HDAC4 (0.53) | PTGESFFAR1AKR1C3HAO1 | |
| SCHEMBL9132515 | 0.69 | SMN1; SMN2 (0.53) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209428-A | Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders | ACUCELA INC | 2015-12-30 | — | — | CN | disclosed |