Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28869790 | 0.83 | ALDH1A1 (0.40) | CYP3A4ALDH1A1KDM4EHCRTR1GAA | |
| SCHEMBL31213514 | 0.73 | P2RX3 (0.48) | CYP3A4MAPTTDP1P2RX3 | |
| SCHEMBL1318483 | 0.69 | ALDH1A1 (0.42) | ALDH1A1KDM4EHCRTR1GAAMAPT | |
| SCHEMBL8780797 | 0.69 | ALDH1A1 (0.31) | CYP3A4CYP2B6ALDH1A1MAPT | |
| SCHEMBL25061759 | 0.68 | ADORA2B (0.38) | CYP3A4CYP2B6ALDH1A1GAAMAPT | |
| SCHEMBL11731417 | 0.67 | ALDH1A1 (0.40) | CYP3A4CYP2B6ALDH1A1SMN1; SMN2 | |
| SCHEMBL24759399 | 0.67 | ADORA2B (0.37) | CYP3A4CYP2B6ALDH1A1MAPT | |
| SCHEMBL10855053 | 0.67 | CYP3A4 (0.50) | CYP3A4CYP2B6ALDH1A1KDM4EHCRTR1 | |
| SCHEMBL25467614 | 0.65 | CYP3A4 (0.34) | CYP3A4CYP2B6ALDH1A1KDM4EHCRTR1 | |
| SCHEMBL27407441 | 0.65 | POLB (0.40) | CYP3A4CYP2B6ALDH1A1KDM4EHCRTR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4216314-A | CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS | CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | disclosed |