Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | FABP4 | P15090 | 5/20 | 0.46 |
| ▸ | FABP3 | P05413 | 4/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 4/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL29120939 | 0.86 | ACHE (0.53) | ACHEMAPTALDH1A1KDM4ECYP1A2 | |
| SCHEMBL8603408 | 0.76 | ACHE (0.56) | ACHEALDH1A1CYP1A2 | |
| SCHEMBL9584331 | 0.72 | ACHE (1.00) | ACHE | |
| SCHEMBL11829394 | 0.72 | MAPT (0.81) | ACHEMAPTALDH1A1KDM4ECYP1A2 | |
| SCHEMBL29059116 | 0.71 | ESR1 (0.67) | MAPTALDH1A1KDM4EHPGDFABP4 | |
| Hydrochloric Acid SCHEMBL11845806 | 0.71 | MAPT (0.84) | ACHEMAPTALDH1A1KDM4ECYP1A2 | |
| SCHEMBL6611810 | 0.71 | MAPT (0.97) | ACHEMAPTALDH1A1KDM4ECYP1A2 | |
| SCHEMBL8956411 | 0.70 | MAPT (0.57) | MAPTALDH1A1KDM4ECYP2C9FABP4 | |
| SCHEMBL22853569 | 0.70 | CYP1A2 (0.47) | ACHEMAPTALDH1A1KDM4ECYP1A2 | |
| SCHEMBL11831171 | 0.69 | MAPT (0.84) | ACHEMAPTALDH1A1KDM4ECYP1A2 |
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-117003760-A | Preparation method of quinoline condensed ring derivative | 广东工业大学 | 2023-11-07 | — | — | CN | disclosed |