Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | ATM | Q13315 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22719902 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL22719917 | 0.89 | ALDH1A1 (0.55) | ALDH1A1KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL29489556 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL22726376 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL24618121 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL3063339 | 0.78 | — | — | |
| SCHEMBL16196894 | 0.78 | — | — | |
| SCHEMBL3063335 | 0.78 | — | — | |
| SCHEMBL2378467 | 0.76 | LMNA (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2LMNA | |
| SCHEMBL17621317 | 0.76 | LMNA (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2LMNA |
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 |