Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2431833 | 0.85 | CYP1A2 (0.63) | CYP1A2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL2431836 | 0.85 | CYP1A2 (0.63) | CYP1A2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL7588542 | 0.83 | CYP1A2 (0.57) | CYP1A2ALDH1A1TSHRNPC1GAA | |
| SCHEMBL27474823 | 0.83 | ALDH1A1 (0.58) | CYP1A2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL3003307 | 0.81 | ALDH1A1 (0.57) | CYP1A2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL974764 | 0.80 | ALDH1A1 (0.55) | CYP1A2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL2413159 | 0.80 | ALDH1A1 (0.55) | CYP1A2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL7733065 | 0.80 | CYP1A2 (0.57) | CYP1A2ALDH1A1TSHRTDP1L3MBTL1 | |
| SCHEMBL11518980 | 0.80 | ALDH1A1 (0.55) | CYP1A2ALDH1A1TSHRGAASMN1; SMN2 | |
| SCHEMBL29688451 | 0.80 | ALDH1A1 (0.55) | CYP1A2ALDH1A1TSHRTDP1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-110590742-B | N1Long chain alkyl-N3Application of piperidine ethyl imidazole salt | 枣庄学院 | 2022-02-01 | — | — | CN | disclosed |
| CN-110590742-A | N1Long chain alkyl-N3Application of piperidine ethyl imidazole salt | 枣庄学院 | 2019-12-20 | — | — | CN | disclosed |