Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.52 |
| ▸ | MAPT | P10636 | 7/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 6/20 | 0.51 |
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | CA12 | O43570 | 4/20 | 0.51 |
| ▸ | CA9 | Q16790 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6512353 | 1.00 | CYP3A4 (0.52) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL15982051 | 0.88 | CYP3A4 (0.46) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL15494654 | 0.88 | HSD17B10 (0.47) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL12968777 | 0.88 | HSD17B10 (0.47) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL12573467 | 0.88 | CYP3A4 (0.46) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL4740474 | 0.88 | CYP3A4 (0.49) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL16379575 | 0.88 | CYP3A4 (0.49) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL10148737 | 0.88 | HSD17B10 (0.47) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL62522 | 0.88 | HSD17B10 (0.47) | CYP3A4MAPTCYP2C19ALDH1A1TSHR | |
| SCHEMBL17117562 | 0.88 | CYP3A4 (0.46) | CYP3A4MAPTCYP2C19ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005070911-A1 | TRANSACETALISATION PROCESS | MONASH UNIVERSITY (AU) | 2005-08-04 | — | — | WO | disclosed |