Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.71 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CASP2 | P42575 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | POLA1 | P09884 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL924945 | 0.84 | — | — | |
| SCHEMBL22719915 | 0.83 | CTSD (0.71) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7866814 | 0.83 | CTSD (0.77) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| Water SCHEMBL28843605 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6177966 | 0.82 | — | — | |
| SCHEMBL27312923 | 0.76 | CTSD (0.81) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1662970 | 0.75 | CTSD (0.63) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| Ethoxycarbonyl Group SCHEMBL22719934 | 0.72 | CTSD (0.48) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL960759 | 0.71 | CTSD (0.65) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| Cadaverine Tartrate SCHEMBL27891978 | 0.71 | CTSD (0.71) | CTSDHDAC3HDAC1HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976580-A1 | PRECURSOR COMPOUNDS OF ESTER COMPOUNDS | University of Guelph (CA) | 2022-04-06 | — | — | EP | disclosed |
| WO-2020237378-A1 | PRECURSOR COMPOUNDS OF ESTER COMPOUNDS | UNIVERSITY OF GUELPH (CA) | 2020-12-03 | — | — | WO | disclosed |