Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL9205825 | 1.00 | CYP2D6 (0.43) | CYP2D6CYP1A2KMT2ASMN1; SMN2HTT | |
| SCHEMBL13362393 | 1.00 | CYP2D6 (0.43) | CYP2D6CYP1A2KMT2ASMN1; SMN2HTT | |
| SCHEMBL15506544 | 0.84 | CYP2D6 (0.49) | CYP2D6CYP1A2KMT2ASMN1; SMN2HTT | |
| SCHEMBL4432332 | 0.82 | CYP2D6 (0.49) | CYP2D6CYP1A2KMT2ASMN1; SMN2GAA | |
| SCHEMBL4432327 | 0.82 | CYP2D6 (0.49) | CYP2D6CYP1A2KMT2ASMN1; SMN2GAA | |
| SCHEMBL31410080 | 0.82 | CYP2D6 (0.49) | CYP2D6CYP1A2KMT2ASMN1; SMN2GAA | |
| SCHEMBL4433801 | 0.82 | CYP2D6 (0.49) | CYP2D6CYP1A2KMT2ASMN1; SMN2GAA | |
| SCHEMBL562062 | 0.80 | CA2 (0.58) | CYP2D6KMT2ASMN1; SMN2HTTCYP3A4 | |
| SCHEMBL898388 | 0.80 | CA2 (0.58) | CYP2D6KMT2ASMN1; SMN2HTTCYP3A4 | |
| SCHEMBL411517 | 0.80 | CA2 (0.58) | CYP2D6KMT2ASMN1; SMN2HTTCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114728917-B | Oxamide derivative, preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114728917-A | Oxamide derivative, preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2022-07-08 | — | — | CN | disclosed |
| EP-2268633-A1 | PYRIDAZINONE GLUCOKINASE ACTIVATORS | F. Hoffmann-La Roche AG (CH) | 2011-01-05 | — | — | EP | disclosed |