Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30762189 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29278121 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL30762181 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29278097 | 0.77 | LOXL2 (0.48) | HRH3 | |
| Hydrochloric Acid SCHEMBL29278130 | 0.76 | KDM4E (0.36) | KDM4E | |
| Hydrochloric Acid SCHEMBL30762176 | 0.76 | KDM4E (0.36) | KDM4E | |
| SCHEMBL29278120 | 0.75 | MPO (0.38) | HRH3HTTDPP4KDM4E | |
| SCHEMBL30762191 | 0.75 | MPO (0.38) | HRH3HTTDPP4KDM4E | |
| SCHEMBL11463931 | 0.75 | HRH3 (0.48) | HRH3KDM4E | |
| SCHEMBL51299 | 0.74 | LOXL2 (0.47) | DPP4DPP8 |
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 |