Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21761015 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP1A2GAAKMT2ASMN1; SMN2 | |
| SCHEMBL15262021 | 0.88 | CYP2D6 (0.52) | CYP2D6CYP1A2KMT2ASMN1; SMN2STS | |
| SCHEMBL23585379 | 0.86 | CYP2D6 (0.50) | CYP2D6CYP1A2KMT2ASMN1; SMN2STS | |
| SCHEMBL26911802 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP1A2GAAKMT2ASMN1; SMN2 | |
| SCHEMBL20595253 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP1A2GAAKMT2ASMN1; SMN2 | |
| SCHEMBL26912003 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP1A2GAAKMT2ASMN1; SMN2 | |
| SCHEMBL15898087 | 0.83 | CYP2D6 (0.49) | CYP2D6CYP1A2GAAKMT2ASMN1; SMN2 | |
| SCHEMBL2787828 | 0.83 | CYP2D6 (0.49) | CYP2D6CYP1A2GAAKMT2ASMN1; SMN2 | |
| SCHEMBL18047845 | 0.82 | CYP2D6 (0.51) | CYP2D6CYP1A2GAAKMT2ASMN1; SMN2 | |
| SCHEMBL31362321 | 0.82 | CYP2D6 (0.52) | CYP2D6CYP1A2KMT2ASMN1; SMN2STS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115322106-B | Synthesis method of trans-3-azido-1-methylcyclobutanol and trans-3-amino-1-methylcyclobutanol | 沈阳药科大学 | 2023-08-15 | — | — | CN | disclosed |
| CN-115322106-A | Synthesis method of trans-3-azido-1-methylcyclobutanol and trans-3-amino-1-methylcyclobutanol | 沈阳药科大学 | 2022-11-11 | — | — | CN | disclosed |