Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.38 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.38 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8200677 | 0.83 | MLYCD (0.47) | MLYCDHPGDALDH1A1KDM4EGAA | |
| SCHEMBL8192821 | 0.81 | THRA (0.42) | MLYCDALDH1A1NAMPTTHRATHRB | |
| SCHEMBL8205603 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8200249 | 0.77 | THRA (0.52) | THRATHRBSGPL1S1PR1 | |
| SCHEMBL8192695 | 0.77 | THRA (0.49) | ALDH1A1NPSR1THRATHRBSGPL1 | |
| SCHEMBL8200346 | 0.75 | SGPL1 (0.41) | THRATHRBSGPL1S1PR1 | |
| SCHEMBL8200629 | 0.74 | P2RX1 (0.45) | MLYCDHPGDKDM4EP2RX1TMPRSS4 | |
| SCHEMBL8201692 | 0.72 | MLYCD (0.42) | MLYCDNAMPTTHRBSGPL1S1PR1 | |
| SCHEMBL18052663 | 0.70 | THRA (0.53) | THRATHRBSGPL1S1PR1 | |
| SCHEMBL15954358 | 0.69 | THRA (0.52) | THRATHRBSGPL1S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |