Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 14/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11670249 | 0.93 | ADRB3 (0.60) | ADRB3ADRB1ADRB2 | |
| SCHEMBL3286920 | 0.86 | ADRB3 (0.54) | ADRB3ADRB1ADRB2 | |
| SCHEMBL3286919 | 0.86 | ADRB3 (0.54) | ADRB3ADRB1ADRB2 | |
| SCHEMBL4805698 | 0.86 | ADRB3 (0.54) | ADRB3ADRB1ADRB2 | |
| SCHEMBL4805686 | 0.86 | ADRB3 (0.54) | ADRB3ADRB1ADRB2 | |
| SCHEMBL4805693 | 0.86 | ADRB3 (0.54) | ADRB3ADRB1ADRB2 | |
| SCHEMBL4803310 | 0.83 | MEN1 (0.52) | ADRB3ADRB1ADRB2 | |
| SCHEMBL3286937 | 0.83 | ADRB3 (0.53) | ADRB3ADRB1ADRB2 | |
| SCHEMBL3286941 | 0.83 | ADRB3 (0.53) | ADRB3ADRB1ADRB2 | |
| SCHEMBL4803299 | 0.83 | MEN1 (0.52) | ADRB3ADRB1ADRB2 |
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-2331492-A1 | METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF | Sanofi-Aventis (FR) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010020719-A1 | METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF | SANOFIS-AVENTIS (FR) | 2010-02-25 | — | — | WO | disclosed |