Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1244152 | 0.84 | ALDH1A1 (0.55) | ALDH1A1HDAC8HDAC6HTTSMN1; SMN2 | |
| SCHEMBL9400665 | 0.82 | VEGFA (0.56) | ALDH1A1CYP11B1CYP11B2HTTSMN1; SMN2 | |
| SCHEMBL28469757 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP11B1CYP11B2HTTSMN1; SMN2 | |
| SCHEMBL25342233 | 0.82 | HDAC3 (0.49) | ALDH1A1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL28477450 | 0.81 | ALDH1A1 (0.49) | ALDH1A1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL28469317 | 0.81 | MAPT (0.55) | ALDH1A1HDAC8HDAC6PKMSMN1; SMN2 | |
| SCHEMBL17894535 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HTTSMN1; SMN2KDM4EATM | |
| SCHEMBL18002172 | 0.79 | HDAC8 (0.54) | ALDH1A1HDAC8HDAC6CYP11B1CYP11B2 | |
| SCHEMBL6057467 | 0.77 | DRD2 (0.54) | ALDH1A1HDAC8HDAC6HDAC1SMN1; SMN2 | |
| SCHEMBL1609235 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HDAC8HDAC6HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4205741-A1 | USE OF COMPOUND AS CYP2E1 INHIBITOR | Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) | 2023-07-05 | — | — | EP | disclosed |