Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 11/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30542088 | 0.90 | KMT2A (0.45) | MEN1KMT2ATHRATHRBALDH1A1 | |
| SCHEMBL27912532 | 0.81 | P2RX4 (0.47) | ALDH1A1 | |
| SCHEMBL28124409 | 0.81 | P2RX4 (0.47) | CYP3A4IDO1MEN1KMT2AALDH1A1 | |
| SCHEMBL27930570 | 0.81 | MMP1 (0.45) | IDO1MEN1KMT2A | |
| SCHEMBL28123967 | 0.81 | KMT2A (0.50) | IDO1RXRARXRBMEN1KMT2A | |
| SCHEMBL28850335 | 0.81 | RXRA (0.44) | RXRARXRBMEN1KMT2ATHRA | |
| SCHEMBL907611 | 0.81 | ALDH1A1 (0.57) | KMT2AALDH1A1 | |
| SCHEMBL10429091 | 0.79 | ALDH1A1 (0.53) | IDO1KMT2AALDH1A1 | |
| SCHEMBL28850281 | 0.79 | GAA (0.48) | ALDH1A1 | |
| SCHEMBL11572593 | 0.78 | CYP3A4 (0.52) | CYP3A4IDO1RXRARXRBAPP |
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-114105806-A | Novel acetylenic acid ester and acetylenic amide plant antibacterial agent | 西北农林科技大学 | 2022-03-01 | — | — | CN | disclosed |