Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SNCA | P37840 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7581410 | 0.85 | CYP3A4 (0.35) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL7582178 | 0.82 | CYP3A4 (0.40) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL167949 | 0.81 | CYP3A4 (0.43) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL8665311 | 0.80 | CYP3A4 (0.37) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL7573520 | 0.78 | TDP1 (0.42) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL7581070 | 0.78 | CYP3A4 (0.38) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| Ammonia Solution, Strong SCHEMBL28223082 | 0.77 | CYP3A4 (0.41) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL8846146 | 0.77 | — | — | |
| SCHEMBL7582381 | 0.77 | CYP3A4 (0.35) | CYP3A4TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL7573971 | 0.77 | CYP3A4 (0.35) | CYP3A4TSHRALDH1A1HSD17B10TDP1 |
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 |