Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5435458 | 0.91 | ALDH1A1 (0.38) | SRD5A2LMNAHTTALDH1A1NPSR1 | |
| SCHEMBL5073219 | 0.78 | CES2 (0.42) | SRD5A2CES2CES1NR4A1ALDH1A1 | |
| SCHEMBL7856777 | 0.77 | ALDH1A1 (0.38) | SRD5A2LMNAHTTALDH1A1NPSR1 | |
| SCHEMBL9385824 | 0.76 | CES2 (0.41) | SRD5A2CES2CES1NR4A1HTT | |
| SCHEMBL2942183 | 0.72 | ALDH1A1 (0.40) | SRD5A2LMNAALDH1A1MAPTATM | |
| SCHEMBL156513 | 0.72 | ALDH1A1 (0.42) | SRD5A2CES2CES1LMNAALDH1A1 | |
| SCHEMBL17042561 | 0.71 | ALDH1A1 (0.35) | SRD5A2LMNAALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL19810505 | 0.71 | RAB9A (0.45) | SRD5A2LMNAALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL8985140 | 0.71 | ALDH1A1 (0.35) | SRD5A2LMNAHTTALDH1A1NPSR1 | |
| Benzophenone SCHEMBL28991975 | 0.71 | ALDH1A1 (0.45) | SRD5A2LMNAALDH1A1SMN1; SMN2MAPT |
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-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 | claimed |
| 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 |