Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29020287 | 0.84 | L3MBTL1 (0.40) | CYP2D6CYP1B1GLAALDH1A1ALOX15 | |
| SCHEMBL29020276 | 0.83 | MMP1 (0.39) | MMP1MMP2MMP9MMP12HCAR2 | |
| SCHEMBL29020273 | 0.83 | CTBP2 (0.44) | MMP2MMP9MMP12IDO1MAOB | |
| SCHEMBL29020262 | 0.83 | CTBP2 (0.46) | MMP1MMP2MMP9MMP12HCAR2 | |
| SCHEMBL29020257 | 0.82 | SMN1; SMN2 (0.50) | ALDH1A1MAPK1 | |
| SCHEMBL28232439 | 0.75 | EGFR (0.48) | EGFRERBB2HCAR2IDO1AGXT | |
| SCHEMBL29020270 | 0.75 | SMN1; SMN2 (0.40) | ALDH1A1ALOX15MAPK1HSD17B10 | |
| SCHEMBL29020283 | 0.75 | KMT2A (0.49) | ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL29020251 | 0.75 | KDM4E (0.46) | — | |
| SCHEMBL29020249 | 0.75 | L3MBTL1 (0.46) | ALDH1A1ALOX15MAPK1HSD17B10 |
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-115093355-A | Preparation method of pyrrole ester compound | 河南农业大学 | 2022-09-23 | — | — | CN | disclosed |