Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.84 |
| ▸ | HPGD | P15428 | 4/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.84 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.84 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14992 | 0.92 | CYP3A4 (1.00) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL29350162 | 0.92 | CYP3A4 (1.00) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL31243773 | 0.87 | HPGD (0.63) | ALDH1A1HPGDCYP3A4TDP1L3MBTL1 | |
| SCHEMBL1907716 | 0.87 | CYP3A4 (0.84) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL2487004 | 0.87 | HPGD (0.63) | ALDH1A1HPGDCYP3A4TDP1L3MBTL1 | |
| SCHEMBL8935045 | 0.87 | CYP3A4 (0.84) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL5483295 | 0.87 | HPGD (0.90) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL14895167 | 0.86 | CYP3A4 (0.77) | ALDH1A1HPGDCYP3A4TDP1FYN | |
| SCHEMBL8072670 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP3A4TDP1L3MBTL1 | |
| SCHEMBL13758474 | 0.80 | ALDH1A1 (0.77) | ALDH1A1HPGDCYP3A4TDP1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478070-A | Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral | 山东第一医科大学(山东省医学科学院) | 2023-07-25 | — | — | CN | disclosed |
| CN-115093359-B | Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral | 山东第一医科大学(山东省医学科学院) | 2023-06-09 | — | — | CN | disclosed |
| CN-115093359-A | Compound, pharmaceutical composition and application of compound and pharmaceutical composition in field of blood vessel expansion or virus resistance | 山东第一医科大学(山东省医学科学院) | 2022-09-23 | — | — | CN | disclosed |