Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | HEXA | P06865 | 1/20 | 0.43 |
| ▸ | HEXB | P07686 | 1/20 | 0.43 |
| ▸ | GCGR | P47871 | 2/20 | 0.40 |
| ▸ | FABP3 | P05413 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29101891 | 0.81 | GPR3 (0.43) | SMN1; SMN2MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL12146201 | 0.79 | KDM4E (0.46) | DHFRHEXAHEXBSMN1; SMN2MEN1 | |
| SCHEMBL29101877 | 0.72 | GSK3B (0.38) | SMN1; SMN2MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL29101893 | 0.72 | ALDH1A1 (0.39) | SMN1; SMN2RAD52MEN1KMT2AALDH1A1 | |
| SCHEMBL29101875 | 0.70 | CYP1A2 (0.46) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL29101900 | 0.70 | CASP3 (0.44) | FABP3FABP4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29101898 | 0.70 | ALDH1A1 (0.39) | SMN1; SMN2MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL29101899 | 0.70 | CYP1A2 (0.42) | SMN1; SMN2MEN1KMT2AALDH1A1HPGD | |
| Alcohol SCHEMBL22342632 | 0.67 | ACHE (0.50) | GCGRSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL28242444 | 0.67 | FABP3 (0.40) | FABP3FABP4FABP5SMN1; SMN2MEN1 |
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-116789598-A | 3-alkenyl isoquinoline 2-oxide compound and preparation method thereof | 广州大学 | 2023-09-22 | — | — | CN | disclosed |