Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | PAM | P19021 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3844786 | 1.00 | MAOB (0.48) | MAOBPPARGCYP1B1HTR2AIDO1 | |
| SCHEMBL3847305 | 0.92 | MAOB (0.54) | MAOBPPARGCYP1B1MAPTLMNA | |
| SCHEMBL6546952 | 0.90 | NFE2L2 (0.46) | IDO1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL28508047 | 0.90 | NFE2L2 (0.46) | IDO1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL1892917 | 0.85 | MAOB (0.67) | MAOBHTR2AIDO1PAMMAPT | |
| SCHEMBL4256257 | 0.85 | MAOB (0.67) | MAOBHTR2AIDO1PAMMAPT | |
| SCHEMBL163963 | 0.85 | MAOB (0.67) | MAOBHTR2AIDO1PAMMAPT | |
| SCHEMBL6546781 | 0.84 | TP53 (0.50) | MAOBHTR2AIDO1PAMMAPT | |
| SCHEMBL6546853 | 0.82 | ALOX5 (0.47) | MAOBIDO1MAPTLMNATDP1 | |
| SCHEMBL6546619 | 0.82 | ALOX5 (0.47) | MAOBIDO1MAPTLMNATDP1 |
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-110396034-A | A kind of preparation method of allyl compound | SHANGHAI INST TECH | 2019-11-01 | — | — | CN | disclosed |