Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2659946 | 0.88 | CYP3A4 (0.44) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL15519303 | 0.87 | CYP3A4 (0.40) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL8650930 | 0.80 | — | — | |
| SCHEMBL14719798 | 0.80 | — | — | |
| SCHEMBL6429741 | 0.80 | — | — | |
| SCHEMBL3257965 | 0.78 | CYP3A4 (0.39) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL10960745 | 0.77 | TSHR (0.38) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL16360618 | 0.77 | — | — | |
| SCHEMBL9435882 | 0.77 | CYP3A4 (0.38) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL47912 | 0.76 | CYP3A4 (0.45) | CYP3A4TSHRMAPTCACNA1BAPBA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5290519-A | Cardiovascular disorders | DIAGNOSTIC MARKERS, INC. (US) | 1994-03-01 | — | — | US | claimed |
| US-5227307-A | Binding metals to thiol groups of tissue proteins | DIAGNOSTIC MARKERS, INC. (US) | 1993-07-13 | — | — | US | claimed |
| EP-0080919-A1 | Lubricant composition used in a high-pressure ethylene polymerisation process | Société Chimique des Charbonnages (FR) | 1983-06-08 | — | — | EP | disclosed |