Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29128259 | 1.00 | ALDH1A1 (0.35) | ALDH1A1THRBLMNACYP1A2CYP2D6 | |
| SCHEMBL29128261 | 0.88 | THRB (0.35) | ALDH1A1THRBLMNAMAPTEPHX2 | |
| SCHEMBL30799830 | 0.88 | THRB (0.35) | ALDH1A1THRBLMNAMAPTEPHX2 | |
| SCHEMBL29128396 | 0.82 | ALDH1A1 (0.38) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30799937 | 0.82 | ALDH1A1 (0.38) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29128514 | 0.81 | ALDH1A1 (0.51) | ALDH1A1LMNAMAPTDRD2KDM4E | |
| SCHEMBL30799911 | 0.78 | ALDH1A1 (0.43) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29128598 | 0.78 | ALDH1A1 (0.43) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29128345 | 0.78 | RAB9A (0.46) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30799895 | 0.78 | RAB9A (0.46) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 |
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-117263862-A | Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof | 吉首大学 | 2023-12-22 | — | — | CN | disclosed |