Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9832224 | 0.96 | SMPD1 (0.43) | SMPD1SLC2A1KDM4EPOLBABCB1 | |
| SCHEMBL9827619 | 0.90 | ADRB2 (0.39) | SMPD1SLC2A1KDM4EABCB1CYP3A4 | |
| SCHEMBL9828679 | 0.89 | ADRB2 (0.40) | SMPD1KDM4EADRB2ALDH1A1 | |
| SCHEMBL9736711 | 0.86 | CYP3A4 (0.45) | SMPD1SLC2A1ABCB1CYP3A4CYP3A5 | |
| SCHEMBL9827453 | 0.86 | CYP3A4 (0.45) | SMPD1SLC2A1ABCB1CYP3A4CYP3A5 | |
| Hydrochloric Acid SCHEMBL10793128 | 0.86 | SMPD1 (0.52) | SMPD1SLC2A1KDM4EADRB2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10797775 | 0.86 | SMPD1 (0.40) | SMPD1SLC2A1KDM4EPOLBABCB1 | |
| Hydrochloric Acid SCHEMBL9829237 | 0.86 | CYP3A4 (0.45) | SMPD1SLC2A1ABCB1CYP3A4ADRB2 | |
| Hydrochloric Acid SCHEMBL9736378 | 0.86 | CYP3A4 (0.45) | SMPD1SLC2A1ABCB1CYP3A4ADRB2 | |
| Hydrochloric Acid SCHEMBL10792003 | 0.86 | CYP3A4 (0.45) | SMPD1SLC2A1ABCB1CYP3A4ADRB2 |
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 3 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 |
| EP-0177960-A2 | Derivatives of tetrahydronaphthalene, process and intermediates for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1986-04-16 | — | — | EP | disclosed |