Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | LTA4H | P09960 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | EBP | Q15125 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL18837482 | 0.91 | HRH3 (0.58) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL873540 | 0.90 | CYP1A2 (0.62) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9706125 | 0.87 | EBP (0.72) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3973648 | 0.86 | CYP1A2 (0.62) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8432273 | 0.85 | CYP1A2 (0.70) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL10503798 | 0.85 | CYP2D6 (0.79) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4547156 | 0.84 | HRH3 (0.79) | LTA4HKCNH2HRH3 | |
| SCHEMBL873480 | 0.82 | CYP1A2 (0.57) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9935084 | 0.82 | CYP2D6 (0.66) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6932789 | 0.82 | CYP2D6 (0.66) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7300936-B2 | α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-27 | — | — | US | disclosed |
| EP-0070133-B1 | SECONDARY PHENYLETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATION | BEECHAM GROUP PLC (GB) | 1986-05-14 | — | — | EP | disclosed |