Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 5-Methylfurfural SCHEMBL51606 | 0.85 | — | — | |
| 5-Methylfurfural SCHEMBL4463513 | 0.83 | — | — | |
| 5-Methylfurfural SCHEMBL23611458 | 0.80 | ALDH1A1 (0.53) | MEN1KMT2AALDH1A1MAPTGAA | |
| 5-Methylfurfural SCHEMBL28207842 | 0.80 | ALDH1A1 (0.58) | MEN1KMT2AALDH1A1MAPTGAA | |
| SCHEMBL7798728 | 0.78 | MAPT (0.55) | MEN1KMT2AALDH1A1MAPTGAA | |
| SCHEMBL19759508 | 0.78 | MAPT (0.55) | MEN1KMT2AALDH1A1MAPTGAA | |
| 5-Methylfurfural SCHEMBL28511742 | 0.76 | GAA (0.48) | MEN1KMT2AALDH1A1MAPTGAA | |
| 5-Methylfurfural SCHEMBL29027183 | 0.76 | ALDH1A1 (0.49) | MEN1KMT2AALDH1A1MAPTGAA | |
| SCHEMBL7349985 | 0.75 | — | — | |
| SCHEMBL7349983 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |