Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 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 | |
|---|---|---|---|---|
| SCHEMBL4410040 | 0.90 | LOXL2 (0.55) | LOXL2CYP2A6HRH3RORCNSD2 | |
| SCHEMBL29664740 | 0.90 | LOXL2 (0.55) | LOXL2CYP2A6HRH3RORCNSD2 | |
| SCHEMBL541669 | 0.86 | HRH3 (0.59) | LOXL2CYP2A6HRH3RORC | |
| SCHEMBL14376811 | 0.81 | CYP2A6 (0.46) | CYP2A6HRH3RORC | |
| SCHEMBL19088665 | 0.80 | HRH3 (0.64) | LOXL2CYP2A6HRH3RORCNSD2 | |
| SCHEMBL15831721 | 0.80 | HRH3 (0.59) | LOXL2CYP2A6HRH3RORCNSD2 | |
| SCHEMBL30762166 | 0.80 | TSHR (0.45) | HRH3 | |
| SCHEMBL29278114 | 0.80 | TSHR (0.45) | HRH3 | |
| SCHEMBL30762191 | 0.78 | MPO (0.38) | HRH3 | |
| SCHEMBL29278120 | 0.78 | MPO (0.38) | HRH3 |
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-117402081-A | Aryl substituted amine derivative, preparation method and application thereof | 南京医科大学 | 2024-01-16 | — | — | CN | disclosed |