Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 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 | |
|---|---|---|---|---|
| SCHEMBL7575246 | 0.84 | CYP3A4 (0.34) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL9436542 | 0.84 | CYP3A4 (0.34) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL7573549 | 0.82 | CYP3A4 (0.33) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL712837 | 0.81 | CYP3A4 (0.39) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL4912513 | 0.76 | TSHR (0.47) | TSHR | |
| SCHEMBL4913519 | 0.76 | TSHR (0.47) | TSHR | |
| SCHEMBL7577670 | 0.76 | TSHR (0.38) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL1414834 | 0.74 | TSHR (0.50) | TSHR | |
| Hydrochloric Acid SCHEMBL11188101 | 0.74 | SUCNR1 (0.46) | CYP3A4TSHRMAPTCACNA1BAPBA1 | |
| SCHEMBL20253751 | 0.72 | CYP3A4 (0.36) | 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 |
|---|---|---|---|---|---|---|---|
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |