Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL20030919 | 0.85 | CES1 (0.52) | CES1CES2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL183337 | 0.82 | CES1 (0.52) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL6929642 | 0.80 | CES1 (0.50) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL20018238 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL10936238 | 0.71 | CES1 (0.73) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL8360661 | 0.70 | HSD17B10 (0.44) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL351193 | 0.69 | ALDH1A1 (0.50) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL28442996 | 0.69 | CES2 (0.61) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL1694317 | 0.69 | CES2 (0.61) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL27594971 | 0.69 | CES1 (0.61) | CES1CES2ALDH1A1TSHRFFAR3 |
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-2018060483-A1 | ORGANOMETALLIC FLUCONAZOLE DERIVATES AND THEIR USE AS ANTIMYCOTICS | Universität Zürich (CH) | 2018-04-05 | — | — | WO | disclosed |