Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14998069 | 0.85 | KIF11 (0.56) | KIF11ALDH1A1TSHRCES2CES1 | |
| SCHEMBL16747679 | 0.85 | KIF11 (0.56) | KIF11ALDH1A1TSHRCES2CES1 | |
| SCHEMBL7699654 | 0.80 | KIF11 (0.52) | KIF11ALDH1A1TSHRCES2CES1 | |
| SCHEMBL5484562 | 0.79 | APP (0.42) | — | |
| SCHEMBL29144381 | 0.76 | KIF11 (0.48) | KIF11ALDH1A1TSHRCES2CES1 | |
| SCHEMBL21332628 | 0.76 | KIF11 (0.48) | KIF11ALDH1A1TSHRCES2CES1 | |
| SCHEMBL2830955 | 0.76 | ALDH1A1 (0.59) | KIF11ALDH1A1TSHRTRPV6PTPN1 | |
| SCHEMBL3827578 | 0.76 | KIF11 (0.48) | KIF11ALDH1A1TSHRCES2CES1 | |
| SCHEMBL9419907 | 0.76 | KIF11 (0.48) | KIF11ALDH1A1TSHRCES2CES1 | |
| SCHEMBL5539093 | 0.76 | KIF11 (0.48) | KIF11ALDH1A1TSHRCES2CES1 |
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-111253208-A | Preparation method of 1-iodoalkyne | 荆楚理工学院 | 2020-06-09 | — | — | CN | disclosed |