Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | S100A9 | P06702 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29278118 | 1.00 | SLC6A4 (0.38) | SLC6A4KCNH2HTR2AHRH3SLC6A3 | |
| SCHEMBL30762191 | 0.87 | MPO (0.38) | SLC6A4HRH3ICMTBCHEACHE | |
| SCHEMBL29278120 | 0.87 | MPO (0.38) | SLC6A4HRH3ICMTBCHEACHE | |
| SCHEMBL29278114 | 0.86 | TSHR (0.45) | SLC6A4HRH3SLC6A3ICMTBCHE | |
| SCHEMBL30762166 | 0.86 | TSHR (0.45) | SLC6A4HRH3SLC6A3ICMTBCHE | |
| SCHEMBL30762183 | 0.84 | HRH3 (0.36) | SLC6A4HRH3SLC6A3ICMTBCHE | |
| SCHEMBL29278111 | 0.84 | HRH3 (0.36) | SLC6A4HRH3SLC6A3ICMTBCHE | |
| SCHEMBL29278097 | 0.77 | LOXL2 (0.48) | HRH3 | |
| SCHEMBL11461540 | 0.75 | BCHE (0.53) | SLC6A4SLC6A3BCHEACHECYP1A2 | |
| SCHEMBL11617787 | 0.75 | PRKCI (0.46) | SLC6A4HRH3SLC6A3ICMTBCHE |
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 |