Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL650739 | 0.83 | CA1 (0.43) | ALDH1A1TSHR | |
| SCHEMBL21497258 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TSHR | |
| SCHEMBL27968281 | 0.80 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL28260949 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL26521957 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL8431976 | 0.78 | CYP1A2 (0.52) | ALDH1A1 | |
| SCHEMBL8432056 | 0.78 | CYP1A2 (0.52) | ALDH1A1 | |
| SCHEMBL8436891 | 0.78 | ALDH1A1 (0.37) | ALDH1A1ZDHHC7TSHR | |
| SCHEMBL1289298 | 0.78 | ALDH1A1 (0.37) | ALDH1A1ZDHHC7TSHR | |
| SCHEMBL27520436 | 0.78 | ALDH1A1 (0.37) | ALDH1A1TSHR |
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-105764902-A | Spirocyclic compounds as tryptophan hydroxylase inhibitors | 卡罗斯制药公司 | 2016-07-13 | — | — | CN | disclosed |