Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.64 |
| ▸ | LMNA | P02545 | 5/20 | 0.64 |
| ▸ | THRB | P10828 | 5/20 | 0.64 |
| ▸ | HTT | P42858 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 9/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13837687 | 0.85 | ALDH1A1 (0.73) | ALDH1A1LMNATHRBHTTGAA | |
| SCHEMBL8051335 | 0.83 | ALDH1A1 (0.64) | ALDH1A1LMNATHRBHTTGAA | |
| SCHEMBL10729956 | 0.81 | MAPK1 (0.63) | ALDH1A1LMNATHRBGAAHPGD | |
| SCHEMBL8051301 | 0.80 | LMNA (0.67) | ALDH1A1LMNAHTTHPGDSMN1; SMN2 | |
| SCHEMBL2897457 | 0.80 | ALDH1A1 (0.69) | ALDH1A1LMNATHRBHTTGAA | |
| SCHEMBL8047723 | 0.78 | ALDH1A1 (0.69) | ALDH1A1LMNATHRBHTTGAA | |
| SCHEMBL3472335 | 0.78 | ALDH1A1 (1.00) | ALDH1A1LMNATHRBHTTGAA | |
| SCHEMBL3472339 | 0.78 | ALDH1A1 (1.00) | ALDH1A1LMNATHRBHTTGAA | |
| SCHEMBL8047488 | 0.77 | DRD2 (0.56) | ALDH1A1LMNAGAAMAPTMEN1 | |
| SCHEMBL12851713 | 0.77 | ALDH1A1 (0.85) | ALDH1A1LMNATHRBHTTGAA |
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-6166019-A | Piperazinyl pyrimidine dione compounds selective for adrenoceptors | ABBOTT LABORATORIES (US) | 2000-12-26 | — | — | US | disclosed |
| US-6153614-A | Piperazinyl pyrimidine dione compounds selective for adrenoceptors | ABBOTT LABORATORIES (US) | 2000-11-28 | — | — | US | disclosed |