Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ICMT | O60725 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30534518 | 1.00 | MAPT (0.40) | MAPTALDH1A1HTTICMTNPC1 | |
| SCHEMBL30534501 | 0.86 | MAPT (0.42) | MAPTALDH1A1HTTICMTNPC1 | |
| SCHEMBL29036158 | 0.86 | MAPT (0.42) | MAPTALDH1A1HTTICMTNPC1 | |
| SCHEMBL30534482 | 0.83 | ALDH1A1 (0.39) | MAPTALDH1A1L3MBTL1DRD4 | |
| SCHEMBL29036162 | 0.83 | ALDH1A1 (0.39) | MAPTALDH1A1L3MBTL1DRD4 | |
| SCHEMBL29036156 | 0.81 | HTT (0.47) | MAPTALDH1A1HTTICMTNPC1 | |
| SCHEMBL30534493 | 0.81 | HTT (0.47) | MAPTALDH1A1HTTICMTNPC1 | |
| SCHEMBL30534506 | 0.81 | ICMT (0.40) | MAPTALDH1A1ICMTNPC1RAB9A | |
| SCHEMBL29036176 | 0.80 | ICMT (0.41) | ALDH1A1ICMTGAAL3MBTL1CYP2C19 | |
| SCHEMBL30534545 | 0.80 | ICMT (0.41) | ALDH1A1ICMTGAAL3MBTL1CYP2C19 |
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-116462686-A | 4-aryl (methyl) group-1, 4-benzoxazine imidazoline compound and preparation method and application thereof | 湖南科技大学 | 2023-07-21 | — | — | CN | disclosed |