Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2188155 | 0.80 | ALDH1A1 (0.35) | TDP1ALDH1A1TP53GLACYP3A4 | |
| SCHEMBL16343725 | 0.73 | ALDH1A1 (0.41) | TDP1ALDH1A1TP53GLACYP3A4 | |
| SCHEMBL13892969 | 0.73 | ERN1 (0.37) | TDP1ALDH1A1TP53GLACYP3A4 | |
| SCHEMBL6734851 | 0.72 | ACHE (0.35) | — | |
| SCHEMBL7708264 | 0.69 | ACHE (0.44) | TDP1ALDH1A1KDM4EPOLBAPEX1 | |
| SCHEMBL5071260 | 0.69 | TTR (0.38) | HSD17B10 | |
| SCHEMBL8412762 | 0.68 | ACHE (0.43) | TDP1ALDH1A1KDM4EPOLBAPEX1 | |
| SCHEMBL2868079 | 0.68 | TDP2 (0.39) | TDP1ALDH1A1TP53GLACYP3A4 | |
| SCHEMBL8412614 | 0.67 | KDM4E (0.33) | TDP1SMN1; SMN2KDM4EPOLBAPEX1 | |
| SCHEMBL8661209 | 0.67 | MEN1 (0.42) | ALDH1A1GAARECQLPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-6812342-B2 | DIFFUSE ACROSS CELL MEMBRANES OF FULLY INTACT CELLS AND REGENERATE THEIR PARENT MOLECULES BY CELLULAR ESTERASE HYDROLYSIS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2004-11-02 | — | — | US | claimed |