Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL435571 | 0.89 | CYP2D6 (0.58) | CYP2D6CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL507364 | 0.86 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL181292 | 0.86 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL506784 | 0.86 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL31662243 | 0.81 | CYP2D6 (0.48) | CYP2D6CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL657896 | 0.80 | CYP2D6 (0.67) | CYP2D6CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL10376015 | 0.80 | CYP2D6 (0.67) | CYP2D6CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL30393804 | 0.80 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL4641154 | 0.80 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL181141 | 0.79 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP3A4CYP2C19PKM |
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-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |