Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL17278410 | 0.76 | NR1H2 (0.34) | ALDH1A1AHRCYP3A4AURKAAURKB | |
| SCHEMBL435967 | 0.71 | NR4A2 (0.38) | ALDH1A1CYP3A4AURKAAURKBADORA3 | |
| SCHEMBL12313661 | 0.69 | PSMB5 (0.41) | ALDH1A1CCR1CCR5CCR8RAPGEF4 | |
| SCHEMBL22304001 | 0.68 | SCN2A (0.36) | ALDH1A1AURKAAURKBLMNAHTT | |
| SCHEMBL438230 | 0.67 | NR4A2 (0.35) | AURKAAURKBADORA3ADORA1HTT | |
| SCHEMBL14712693 | 0.67 | POLB (0.52) | ALDH1A1AHRLMNACYP1A2POLB | |
| SCHEMBL7691286 | 0.66 | MAPK1 (0.42) | ALDH1A1CYP3A4AURKAAURKBPOLB | |
| SCHEMBL440378 | 0.66 | HAVCR2 (0.49) | ALDH1A1CYP3A4AURKAAURKBCYP1A2 | |
| SCHEMBL16661476 | 0.66 | CCR1 (0.44) | ALDH1A1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL25481904 | 0.65 | PDE4A (0.42) | ALDH1A1AHRCYP3A4HTT |
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-2017035082-A1 | ALDEHYDE CONJUGATES AND USES THEREOF | ALDEYRA THERAPEUTICS, INC. (US) | 2017-03-02 | — | — | WO | disclosed |