Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Furfural. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | MASP2 | O00187 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | POLB | P06746 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| Furfural SCHEMBL17671277 | 0.98 | ALDH1A1 (0.82) | ALDH1A1HCAR2MASP2F2KMT2A | |
| Furfural SCHEMBL27529868 | 0.91 | ALDH1A1 (0.95) | ALDH1A1HCAR2MASP2F2KMT2A | |
| Furfural SCHEMBL27981825 | 0.91 | — | — | |
| Furfural SCHEMBL19951030 | 0.89 | ALDH1A1 (0.75) | ALDH1A1HCAR2MASP2F2KMT2A | |
| Furfural SCHEMBL2441944 | 0.89 | ALDH1A1 (0.75) | ALDH1A1HCAR2MASP2F2KMT2A | |
| Furfural SCHEMBL20439 | 0.89 | — | — | |
| Furfural SCHEMBL626705 | 0.89 | ALDH1A1 (1.00) | ALDH1A1HCAR2MASP2F2KMT2A | |
| Furfural SCHEMBL10811266 | 0.89 | ALDH1A1 (1.00) | ALDH1A1HCAR2MASP2F2KMT2A | |
| Furfural SCHEMBL7995124 | 0.88 | ALDH1A1 (0.67) | ALDH1A1HCAR2MASP2F2KMT2A | |
| Furfural SCHEMBL653628 | 0.87 | ALDH1A1 (0.78) | ALDH1A1HCAR2MASP2F2KMT2A |
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-108794435-B | Integrated catalytic conversion method for biomass furfural compounds in ethanol | 复旦大学 | 2021-06-04 | — | — | CN | disclosed |
| CN-108794435-A | It is a kind of to be used for the integration catalysis conversion method of biomass Furnan products in ethanol | 复旦大学 | 2018-11-13 | — | — | CN | disclosed |