Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.49 |
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8204772 | 0.89 | HTR2C (0.50) | HTR2CMCHR1HTR7 | |
| SCHEMBL8191618 | 0.88 | HTR2C (0.50) | HTR2CALDH1A1 | |
| SCHEMBL8199999 | 0.88 | HTR2C (0.45) | HTR2CHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL8199033 | 0.87 | HTR2C (0.46) | HTR2CMCHR1 | |
| SCHEMBL8588807 | 0.87 | HTR2C (0.44) | HTR2CHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL8200306 | 0.87 | HTR2C (0.46) | HTR2CHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL8201273 | 0.86 | HTR2C (0.48) | HTR2CMCHR1 | |
| SCHEMBL8192524 | 0.85 | HTR2C (0.47) | HTR2CPRCPMCHR1ALDH1A1 | |
| SCHEMBL8198980 | 0.85 | HTR2C (0.55) | HTR2CCHRM3MCHR1HTR7 | |
| SCHEMBL8200414 | 0.84 | PRCP (0.44) | HTR2CPRCPCHRM3MEN1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | claimed |
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | claimed |
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | disclosed |