Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL701235 | 1.00 | TSHR (0.48) | TSHRTAAR1KCNA5KCNH2SLC6A2 | |
| SCHEMBL14928666 | 1.00 | TSHR (0.48) | TSHRTAAR1KCNA5KCNH2SLC6A2 | |
| SCHEMBL19101954 | 0.82 | TSHR (0.47) | TSHRTAAR1KCNA5KCNH2SLC6A2 | |
| SCHEMBL10247782 | 0.81 | KCNA5 (0.52) | TSHRKCNA5KCNH2SLC6A2SLC6A4 | |
| SCHEMBL817770 | 0.81 | KCNA5 (0.52) | TSHRKCNA5KCNH2SLC6A2SLC6A4 | |
| SCHEMBL13862942 | 0.81 | KCNA5 (0.52) | TSHRKCNA5KCNH2SLC6A2SLC6A4 | |
| SCHEMBL13638230 | 0.81 | KCNA5 (0.52) | TSHRKCNA5KCNH2SLC6A2SLC6A4 | |
| SCHEMBL7914310 | 0.80 | TAAR1 (0.52) | TSHRTAAR1KCNA5KCNH2SLC6A2 | |
| SCHEMBL22275776 | 0.80 | CXCR4 (0.48) | TSHRKCNA5KCNH2SLC6A2SLC6A4 | |
| SCHEMBL23689568 | 0.79 | TSHR (0.48) | TSHRKCNA5KCNH2SLC6A2SLC6A4 |
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-114539137-B | Chiral alpha-heteroaryl amine and preparation method thereof | 河北工业大学 | 2023-06-23 | — | — | CN | disclosed |