Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16415809 | 0.85 | CYP3A4 (0.48) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL31258328 | 0.79 | ADORA2A (0.49) | ADORA2AADORA1ALDH1A1MAPTKDM4E | |
| SCHEMBL313560 | 0.77 | MAOA (0.46) | ADORA2AADORA1ALDH1A1MAPTKDM4E | |
| SCHEMBL28169734 | 0.76 | ALDH1A1 (0.41) | ADORA2AADORA1ALDH1A1MAPTKDM4E | |
| SCHEMBL27899659 | 0.74 | MAOA (0.43) | ADORA2AADORA1ALDH1A1MAPTKDM4E | |
| SCHEMBL359610 | 0.74 | MAOA (0.55) | ADORA2AADORA1ALDH1A1MAPTKDM4E | |
| SCHEMBL4852791 | 0.73 | TSHR (0.45) | ALDH1A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL29608707 | 0.73 | MAOA (0.44) | ADORA2AADORA1ALDH1A1HPGDMAOA | |
| SCHEMBL28893904 | 0.73 | ADORA2A (0.43) | ADORA2AADORA1ALDH1A1MAPTHPGD | |
| Ammonia Solution, Strong SCHEMBL15283068 | 0.71 | ADORA2A (0.46) | ADORA2AADORA1ALDH1A1MAPTKDM4E |
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-113906036-A | Polycyclic aromatic compound | 学校法人关西学院 | 2022-01-07 | — | — | CN | disclosed |