Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6818293 | 1.00 | CYP3A4 (0.42) | CYP3A4ATMHTR3EHTR3BHTR3A | |
| SCHEMBL28903834 | 0.89 | ACACB (0.44) | ATMALDH1A1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL5046540 | 0.83 | ACACB (0.48) | GPR183 | |
| SCHEMBL4656696 | 0.81 | CYP3A4 (0.45) | CYP3A4ATMHTR3EHTR3BHTR3A | |
| SCHEMBL24419876 | 0.79 | BCL2L1 (0.38) | CYP3A4ALDH1A1HSD17B10TDP1KDM4E | |
| SCHEMBL23252170 | 0.76 | CYP3A4 (0.46) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL5046911 | 0.75 | ACACB (0.53) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL16329717 | 0.74 | MEN1 (0.47) | CYP3A4ALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL3671715 | 0.74 | ATM (0.50) | ATMALDH1A1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL2156716 | 0.73 | ALDH1A1 (0.50) | CYP3A4ATMALDH1A1HSD17B10TDP1 |
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-111808023-B | Method for preparing 3-aryl isoquinoline derivative | 四川大学 | 2022-10-21 | — | — | CN | disclosed |