Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 4/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828679 | 0.97 | ADRB2 (0.40) | ADRB2SMPD1DRD2DRD1DRD4 | |
| SCHEMBL9832224 | 0.93 | SMPD1 (0.43) | ADRB2SMPD1CYP3A4LMNAKDM4E | |
| SCHEMBL9827558 | 0.90 | SMPD1 (0.43) | ADRB2SMPD1CYP3A4LMNAKDM4E | |
| SCHEMBL9827613 | 0.86 | CYP3A4 (0.44) | SMPD1DRD2DRD1DRD3REN | |
| SCHEMBL9736711 | 0.84 | CYP3A4 (0.45) | ADRB2SMPD1SIGMAR1CYP3A4ALDH1A1 | |
| SCHEMBL9827453 | 0.84 | CYP3A4 (0.45) | ADRB2SMPD1SIGMAR1CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10793128 | 0.84 | SMPD1 (0.52) | ADRB2SMPD1DRD2DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL9736378 | 0.83 | CYP3A4 (0.45) | ADRB2SMPD1SIGMAR1CYP3A4LMNA | |
| Hydrochloric Acid SCHEMBL9829237 | 0.83 | CYP3A4 (0.45) | ADRB2SMPD1SIGMAR1CYP3A4LMNA | |
| Hydrochloric Acid SCHEMBL10797775 | 0.83 | SMPD1 (0.40) | SMPD1SIGMAR1CYP3A4LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0177960-B1 | DERIVATIVES OF TETRAHYDRONAPHTHALENE, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOFFMANN LA ROCHE (CH) | 1991-03-20 | — | — | EP | disclosed |
| US-4680310-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-07-14 | — | — | US | disclosed |