Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.42 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.42 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30270558 | 0.82 | XDH (0.68) | GPR35XDHVCAM1ALDH1A1CYP3A4 | |
| SCHEMBL11880612 | 0.82 | XDH (0.50) | GPR35XDHVCAM1ALDH1A1CYP3A4 | |
| SCHEMBL2954149 | 0.82 | XDH (0.68) | GPR35XDHVCAM1ALDH1A1CYP3A4 | |
| SCHEMBL1343512 | 0.81 | GPR35 (0.51) | GPR35VCAM1ALDH1A1MAPTGRIA1 | |
| SCHEMBL3814947 | 0.81 | ERN1 (0.54) | GPR35VCAM1ALDH1A1MAPTGRIA1 | |
| SCHEMBL31374335 | 0.81 | GPR35 (0.51) | GPR35XDHVCAM1ALDH1A1MAPT | |
| SCHEMBL31353086 | 0.81 | VCAM1 (0.56) | GPR35VCAM1ALDH1A1CYP3A4MAPT | |
| SCHEMBL630155 | 0.81 | XDH (0.49) | GPR35XDHVCAM1ALDH1A1CYP3A4 | |
| SCHEMBL7404009 | 0.81 | XDH (0.53) | GPR35XDHVCAM1ALDH1A1CYP3A4 | |
| SCHEMBL221077 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP3A4MAPTCYP1A2ALOX15 |
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-119143752-A | Aminoquinoline derivative, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-12-17 | — | — | CN | disclosed |