Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.32 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11278938 | 0.84 | CYP3A4 (0.39) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL11277855 | 0.84 | CYP3A4 (0.39) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL177943 | 0.82 | CYP3A4 (0.48) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL669729 | 0.80 | — | — | |
| SCHEMBL7512684 | 0.79 | CYP3A4 (0.46) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL3458279 | 0.78 | CYP3A4 (0.42) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL44692 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9595329 | 0.78 | CYP3A4 (0.42) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL4400634 | 0.78 | CYP3A4 (0.42) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL6632424 | 0.77 | TSHR (0.40) | CYP3A4MAPTTSHRCACNA1BAPBA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0044293-A1 | QUATERNARY AMMONIUM SALTS IN HYDROGEL CONTACT LENSES | FOLEY, Jr., William M. (US) | 1982-01-27 | — | — | EP | disclosed |
| WO-1981002136-A1 | QUATERNARY AMMONIUM SALTS IN HYDROGEL CONTACT LENSES | FOLEY W (US) | 1981-08-06 | — | — | WO | disclosed |
| US-4252421-A | Contact lenses with a colored central area | McCarry, John D. (US) | 1981-02-24 | — | — | US | disclosed |
| US-4218554-A | RESULTING IN HIGH DEGREE OF HYDRATION | MCGARRY, JOHN D. | 1980-08-19 | — | — | US | disclosed |