Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP12 | P39900 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 4/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | RXRB | P28702 | 1/20 | 0.49 |
| ▸ | RXRG | P48443 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27577784 | 0.81 | HCAR2 (0.64) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL28850250 | 0.81 | HCAR2 (0.56) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL28850295 | 0.81 | MAOB (0.51) | MMP2MMP9MMP12MAOBMAOA | |
| SCHEMBL28850303 | 0.81 | HCAR2 (0.56) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL134801 | 0.80 | ALDH1A1 (0.63) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL28124409 | 0.80 | P2RX4 (0.47) | MMP1MMP2MMP9MMP12MAOB | |
| SCHEMBL907611 | 0.79 | ALDH1A1 (0.57) | HCAR2ALDH1A1TSHR | |
| SCHEMBL2659547 | 0.78 | ALDH1A1 (0.61) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL7659252 | 0.78 | HCAR2 (0.60) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL30542088 | 0.77 | KMT2A (0.45) | HCAR2ALDH1A1KDM4ETSHRTHRA |
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 |