Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 3/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16031611 | 0.83 | CYP2A6 (0.39) | CYP2A6MEN1KMT2APOLBNPC1 | |
| SCHEMBL16030517 | 0.77 | GRM5 (0.38) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL16151284 | 0.76 | IKBKB (0.36) | CYP2A6MEN1KMT2APOLBNPC1 | |
| SCHEMBL28049087 | 0.74 | CYP2A6 (0.43) | CYP2A6GRM5 | |
| SCHEMBL27952685 | 0.72 | GRM5 (0.50) | CYP2A6MEN1KMT2APOLBNPC1 | |
| SCHEMBL6985553 | 0.70 | — | — | |
| SCHEMBL4631078 | 0.68 | CYP2A6 (0.50) | CYP2A6MEN1KMT2APOLBNPC1 | |
| SCHEMBL22733866 | 0.68 | CYP2A6 (0.59) | CYP2A6MEN1KMT2APOLBNPC1 | |
| SCHEMBL22607823 | 0.67 | FFAR1 (0.40) | CYP2A6GRM5 | |
| SCHEMBL22607824 | 0.67 | FFAR1 (0.40) | CYP2A6GRM5 |
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 |