Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 2/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.31 |
| ▸ | FABP3 | P05413 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29774205 | 0.86 | TDP1 (0.39) | ALDH1A1MAPK1SMN1; SMN2HCAR2TDP1 | |
| SCHEMBL9784571 | 0.82 | HCAR2 (0.41) | ALDH1A1HCAR2TDP1KMT2AL3MBTL1 | |
| SCHEMBL31436370 | 0.82 | HCAR2 (0.41) | ALDH1A1SMN1; SMN2HCAR2TDP1KMT2A | |
| SCHEMBL29222692 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK1SMN1; SMN2HCAR2KMT2A | |
| SCHEMBL7519075 | 0.75 | TDP1 (0.39) | ALDH1A1MAPK1SMN1; SMN2HCAR2TDP1 | |
| SCHEMBL8995714 | 0.75 | HCAR2 (0.41) | HCAR2KMT2AL3MBTL1KDM4EMEN1 | |
| SCHEMBL9784563 | 0.73 | HCAR2 (0.38) | ALDH1A1MAPK1SMN1; SMN2HCAR2TDP1 | |
| SCHEMBL8995696 | 0.71 | GABRP (0.37) | ALDH1A1MAPK1HCAR2TDP1KMT2A | |
| SCHEMBL29102125 | 0.70 | PDE10A (0.34) | ALDH1A1MAPK1SMN1; SMN2HCAR2TDP1 | |
| SCHEMBL31751932 | 0.70 | TDP1 (0.44) | ALDH1A1SMN1; SMN2HCAR2TDP1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4259527-A | OXIDATION OF SECONDARY ALCOHOLS TO KETONES WITH HYDROGEN PEROXIDE | ALLIED CHEMICAL CORPORATION (US) | 1981-03-31 | — | — | US | disclosed |
| US-4171313-A | OF ALICYCLIC KETONES TO LACTONES, W-HYDROXY ACIDS AND ESTERS USING HYDROGEN PEROXIDE AS AN OXIDIZING AGENT | ALLIED CHEMICAL CORPORATION (US) | 1979-10-16 | — | — | US | disclosed |