Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | STAT3 | P40763 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL27333421 | 0.90 | HRH3 (0.63) | HRH3RAB9AALDH1A1MAPTNPC1 | |
| SCHEMBL28869820 | 0.87 | GPR84 (0.61) | HRH3RAB9AGPR84ALDH1A1MAPT | |
| SCHEMBL28373785 | 0.86 | MAPT (0.67) | HRH3RAB9AALDH1A1MAPTNPC1 | |
| SCHEMBL18229439 | 0.85 | HRH3 (0.77) | HRH3RAB9AALDH1A1MAPTHDAC1 | |
| SCHEMBL17912677 | 0.85 | GPR84 (0.64) | HRH3RAB9AGPR84MAPTNPC1 | |
| SCHEMBL18229442 | 0.85 | HRH3 (0.69) | HRH3RAB9AALDH1A1MAPTNPC1 | |
| SCHEMBL7807900 | 0.84 | HRH3 (0.67) | HRH3RAB9AALDH1A1MAPTHDAC1 | |
| SCHEMBL31218207 | 0.84 | HRH3 (0.67) | HRH3RAB9AALDH1A1MAPTHDAC1 | |
| SCHEMBL27333111 | 0.83 | HRH3 (0.67) | HRH3RAB9AALDH1A1MAPTHDAC1 | |
| SCHEMBL25802387 | 0.82 | HRH3 (0.66) | HRH3RAB9AALDH1A1MAPTHDAC1 |
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 |