Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 9/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.40 |
| ▸ | DRD1 | P21728 | 5/20 | 0.40 |
| ▸ | DRD4 | P21917 | 5/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9827619 | 0.97 | ADRB2 (0.39) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL9832224 | 0.92 | SMPD1 (0.43) | ADRB2SMPD1KDM4EALDH1A1 | |
| SCHEMBL9827558 | 0.89 | SMPD1 (0.43) | ADRB2SMPD1KDM4EALDH1A1 | |
| SCHEMBL9828675 | 0.85 | CYP3A4 (0.42) | DRD2DRD1DRD3SMPD1MEN1 | |
| SCHEMBL9827613 | 0.83 | CYP3A4 (0.44) | DRD2DRD1DRD3SMPD1MEN1 | |
| SCHEMBL9736711 | 0.83 | CYP3A4 (0.45) | ADRB2SMPD1ADRB1MEN1KMT2A | |
| SCHEMBL9827453 | 0.83 | CYP3A4 (0.45) | ADRB2SMPD1ADRB1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10793128 | 0.82 | SMPD1 (0.52) | ADRB2DRD2DRD1DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL9829237 | 0.82 | CYP3A4 (0.45) | ADRB2SMPD1ADRB1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10797775 | 0.82 | SMPD1 (0.40) | SMPD1KMT2AKDM4EALDH1A1SMN1; SMN2 |
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 |