Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17922740 | 0.82 | ALDH1A1 (0.42) | MAPTHTTALDH1A1KDM4ETDP1 | |
| SCHEMBL2163708 | 0.82 | ALDH1A1 (0.42) | MAPTHTTALDH1A1KDM4ETDP1 | |
| Morpholine SCHEMBL25275052 | 0.81 | MPO (0.40) | CHEK1ALDH1A1KDM4E | |
| SCHEMBL28396204 | 0.79 | ADRA2C (0.42) | CHEK1HTTALDH1A1CYP1A2HPGD | |
| SCHEMBL25271253 | 0.79 | ALDH1A1 (0.35) | MAPTCHEK1HTTALDH1A1KDM4E | |
| SCHEMBL3280339 | 0.79 | CYP2D6 (0.56) | CHEK1ALDH1A1KDM4ECYP2D6CYP1A2 | |
| SCHEMBL14421398 | 0.79 | CYP2D6 (0.56) | CHEK1ALDH1A1KDM4ECYP2D6CYP1A2 | |
| SCHEMBL5025199 | 0.78 | TDP1 (0.40) | MAPTCHEK1HTTALDH1A1KDM4E | |
| SCHEMBL15365139 | 0.78 | MAPT (0.45) | MAPTCHEK1HTTALDH1A1KDM4E | |
| SCHEMBL5651215 | 0.78 | MAPT (0.45) | MAPTCHEK1HTTALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023098592-A1 | PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS | 奥锐特药业股份有限公司 | 2023-06-08 | — | — | WO | claimed |
| CN-114920704-A | Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application | 暨南大学 | 2022-08-19 | — | — | CN | disclosed |