Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8200419 | 0.95 | SIGMAR1 (0.44) | SIGMAR1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL8588349 | 0.95 | SIGMAR1 (0.44) | SIGMAR1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL8589678 | 0.95 | SIGMAR1 (0.44) | SIGMAR1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL8203121 | 0.90 | DRD3 (0.43) | DRD4DRD3DRD2 | |
| SCHEMBL8198484 | 0.89 | HTR2C (0.42) | SIGMAR1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL8203423 | 0.86 | DRD3 (0.43) | SIGMAR1DRD4DRD3DRD2CHRM4 | |
| SCHEMBL8198781 | 0.84 | HTR2C (0.46) | SIGMAR1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL8200402 | 0.83 | HTR2C (0.48) | SIGMAR1DRD4DRD3DRD2CHRM4 | |
| SCHEMBL8203690 | 0.82 | PRCP (0.42) | SIGMAR1DRD4DRD3DRD2 | |
| SCHEMBL8203525 | 0.81 | SIGMAR1 (0.46) | SIGMAR1TSHRMEN1TP53CYP1A2 |
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 4 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 |
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | disclosed |