Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11538133 | 1.00 | APLNR (0.59) | APLNRCA12CA1CA2CA7 | |
| SCHEMBL81884 | 0.89 | APLNR (0.56) | APLNRCA12CA1CA2CA7 | |
| SCHEMBL8160809 | 0.87 | APLNR (0.54) | APLNRCA12CA1CA2CA7 | |
| SCHEMBL25308876 | 0.85 | ADRA1A (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1492044 | 0.84 | APLNR (0.63) | APLNRCA12CA1CA2CA7 | |
| SCHEMBL30107392 | 0.84 | APLNR (0.63) | APLNRCA12CA1CA2CA7 | |
| SCHEMBL6123805 | 0.82 | APLNR (0.61) | APLNRCA12CA1CA2CA7 | |
| SCHEMBL29447917 | 0.81 | TAAR1 (0.44) | APLNRADRA1ATAAR1CYP1A1CYP1A2 | |
| SCHEMBL20901309 | 0.81 | KMT2A (0.47) | APLNRADRA1ATAAR1ALDH1A1 | |
| SCHEMBL626051 | 0.81 | TAAR1 (0.73) | APLNRHTR2AHTR2CADRA1ATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116444520-A | And cyclic piperidine compound, and preparation method and application thereof | 上海科技大学 | 2023-07-18 | — | — | CN | disclosed |