Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.77 |
| ▸ | CES2 | O00748 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL762542 | 1.00 | CES1 (0.77) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL1370034 | 0.87 | CES1 (1.00) | CES1CES2TDP1POLBMAPK1 | |
| Benzil SCHEMBL27888964 | 0.85 | CES1 (0.96) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL10476789 | 0.83 | CES2 (0.67) | CES1CES2POLBMAPK1ALDH1A1 | |
| Cyanide SCHEMBL10981240 | 0.82 | CES1 (0.89) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL819944 | 0.82 | TDP1 (0.64) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL10887019 | 0.82 | CES1 (0.69) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL761381 | 0.81 | CES2 (0.65) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL5694669 | 0.81 | MAOB (0.56) | CES1CES2TDP1ALDH1A1MEN1 | |
| SCHEMBL5694665 | 0.81 | MAOB (0.56) | CES1CES2TDP1ALDH1A1MEN1 |
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 |