Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 4/20 | 0.36 |
| ▸ | MMP2 | P08253 | 3/20 | 0.36 |
| ▸ | MMP9 | P14780 | 3/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30648565 | 0.91 | MAOA (0.41) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL30648575 | 0.87 | MMP2 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL30648596 | 0.87 | MAPT (0.40) | MAOAMAOBL3MBTL1ALDH1A1LMNA | |
| SCHEMBL29155615 | 0.87 | MAOA (0.39) | CYP3A4MAOAMAOBL3MBTL1ALDH1A1 | |
| SCHEMBL29155614 | 0.87 | MAOA (0.39) | CYP3A4MAOAMAOBL3MBTL1ALDH1A1 | |
| SCHEMBL30648593 | 0.86 | KDM4E (0.42) | CYP3A4SLC6A4MAOAMAOBALDH1A1 | |
| SCHEMBL30648590 | 0.83 | ALDH1A1 (0.40) | SLC6A2SLC6A4MAOAMAOBMMP3 | |
| SCHEMBL30648578 | 0.79 | TSHR (0.47) | CYP3A4SLC6A3ALDH1A1LMNAHTT | |
| SCHEMBL30648589 | 0.78 | CYP3A4 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30648581 | 0.75 | TSHR (0.36) | MAOAMAOBL3MBTL1ALDH1A1HTT |
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-117304081-A | Method for synthesizing homoallylic alcohol compound by synergistic catalysis of visible light and titanium | 河南师范大学 | 2023-12-29 | — | — | CN | disclosed |