Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX4 | Q99571 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
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) | P2RX4L3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL6881578 | 0.83 | P2RX4 (0.48) | P2RX4L3MBTL1ALDH1A1MMP2NPSR1 | |
| SCHEMBL27839270 | 0.82 | THRA (0.41) | L3MBTL1ALDH1A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL28850294 | 0.81 | CYP3A4 (0.44) | ALDH1A1CYP3A4MEN1KMT2AIDO1 | |
| SCHEMBL27912532 | 0.81 | P2RX4 (0.47) | P2RX4ALDH1A1MMP2MMP1MMP9 | |
| SCHEMBL28123967 | 0.81 | KMT2A (0.50) | L3MBTL1ALDH1A1MMP1MEN1KMT2A | |
| SCHEMBL28850335 | 0.81 | RXRA (0.44) | L3MBTL1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL27930570 | 0.81 | MMP1 (0.45) | L3MBTL1MMP2MMP1MMP9MMP12 | |
| SCHEMBL907611 | 0.81 | ALDH1A1 (0.57) | P2RX4L3MBTL1ALDH1A1KMT2ACA1 | |
| SCHEMBL28850367 | 0.80 | HCAR2 (0.56) | ALDH1A1MMP2MMP1MMP9MMP12 |
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 2 patents. 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 |
| CN-106279182-A | A kind of pyrrolo-[2,1 a] iso-indole ketone compounds and synthetic method thereof | 中国药科大学 | 2017-01-04 | — | — | CN | disclosed |