Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18007672 | 0.76 | TAAR1 (0.42) | TAAR1NOS1NOS2TSHRCYP3A4 | |
| SCHEMBL21784217 | 0.75 | GCGR (0.42) | — | |
| SCHEMBL14661332 | 0.71 | NOS1 (0.42) | TAAR1NOS1NOS2TSHRCYP3A4 | |
| SCHEMBL3791534 | 0.71 | TSHR (0.50) | TAAR1NOS1NOS2TSHRCYP3A4 | |
| SCHEMBL3791259 | 0.71 | TSHR (0.50) | TAAR1NOS1NOS2TSHRCYP3A4 | |
| SCHEMBL31353070 | 0.69 | MAPK1 (0.41) | TSHRCYP3A4ALDH1A1TDP1 | |
| SCHEMBL22029016 | 0.69 | PDE10A (0.33) | TAAR1 | |
| SCHEMBL6177214 | 0.69 | TSHR (0.44) | TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL17738363 | 0.68 | TDO2 (0.37) | TAAR1NOS1NOS2NOS3 | |
| SCHEMBL29209727 | 0.68 | TAAR1 (0.37) | TAAR1NOS1NOS2TSHRCYP3A4 |
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 |