Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29565999 | 0.92 | LTA4H (0.53) | LTA4HHRH3BACE1HDAC1HDAC2 | |
| SCHEMBL17138189 | 0.86 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1KCNA3 | |
| SCHEMBL13420978 | 0.84 | ALDH1A1 (0.60) | LTA4HHRH3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL7980722 | 0.84 | ALDH1A1 (0.62) | LTA4HHDAC1HDAC2ALDH1A1L3MBTL1 | |
| SCHEMBL9254689 | 0.82 | PRMT6 (0.40) | LTA4HHRH3BACE1HDAC1HDAC2 | |
| SCHEMBL4981424 | 0.81 | LTA4H (0.47) | LTA4HHRH3BACE1ALDH1A1RXRA | |
| SCHEMBL8539801 | 0.81 | LTA4H (0.55) | LTA4HHRH3BACE1HDAC1HDAC2 | |
| SCHEMBL13639221 | 0.81 | HDAC1 (0.50) | LTA4HHRH3BACE1HDAC1HDAC2 | |
| SCHEMBL3108690 | 0.81 | MAOB (0.57) | ALDH1A1 | |
| SCHEMBL17138168 | 0.80 | KCNA3 (0.46) | ALDH1A1L3MBTL1KCNA3 |
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-2022094420-A1 | SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES | MARQUETTE UNIVERSITY (US) | 2022-05-05 | — | — | WO | disclosed |