Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | TYR | P14679 | 1/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAPDH | P04406 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL276910 | 0.98 | HPGD (0.57) | HPGDTYRDAOAKR1B1KDM4E | |
| SCHEMBL27489198 | 0.98 | HPGD (0.57) | HPGDTYRDAOAKR1B1KDM4E | |
| Water SCHEMBL28199096 | 0.95 | HPGD (0.55) | HPGDTYRDAOAKR1B1KDM4E | |
| Urea SCHEMBL27701713 | 0.87 | FLT3 (0.60) | HPGDTYRDAOAKR1B1KDM4E | |
| Propene SCHEMBL28102085 | 0.86 | HPGD (0.47) | HPGDTYRDAOAKR1B1KDM4E | |
| Acetic Acid SCHEMBL15971810 | 0.86 | KDM4E (0.54) | HPGDTYRDAOAKR1B1KDM4E | |
| Carbamic Acid SCHEMBL27939305 | 0.86 | FLT3 (0.58) | HPGDTYRDAOAKR1B1FLT3 | |
| Urea SCHEMBL27459733 | 0.84 | FLT3 (0.56) | HPGDTYRDAOAKR1B1KDM4E | |
| SCHEMBL27994219 | 0.84 | HPGD (0.46) | HPGDTYRDAOAKR1B1KDM4E | |
| Benzofuran SCHEMBL27593889 | 0.84 | HPGD (0.46) | HPGDTYRDAOAKR1B1KDM4E |
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-117362162-A | Preparation method of carbonyl compound | 中国科学院大连化学物理研究所 | 2024-01-09 | — | — | CN | disclosed |