Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11384805 | 0.84 | CYP3A4 (0.35) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL7822619 | 0.82 | CYP3A4 (0.36) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL7822624 | 0.82 | MAPT (0.42) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL7094910 | 0.80 | CYP3A4 (0.41) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| Ammonia Solution, Strong SCHEMBL10836805 | 0.78 | CYP3A4 (0.39) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL2361074 | 0.77 | CYP3A4 (0.33) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL8586425 | 0.77 | CYP3A4 (0.38) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL10587973 | 0.77 | TSHR (0.40) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL2364280 | 0.77 | CYP3A4 (0.38) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL27546354 | 0.74 | CYP3A4 (0.46) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740556-A1 | HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES | Rigel Pharmaceuticals, Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005097760-A1 | HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES | RIGEL PHARMACEUTICALS, INC. (US) | 2005-10-20 | — | — | WO | disclosed |