Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 5/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL17664993 | 0.87 | HRH1 (0.41) | ALDH1A1HRH1DRD2DRD1DRD4 | |
| SCHEMBL22974801 | 0.87 | HRH1 (0.41) | ALDH1A1HRH1DRD2DRD1DRD4 | |
| SCHEMBL17660558 | 0.87 | HRH1 (0.41) | ALDH1A1HRH1DRD2DRD1DRD4 | |
| SCHEMBL25259239 | 0.80 | HRH1 (0.47) | HRH1DRD2DRD1DRD4DRD5 | |
| SCHEMBL25218614 | 0.80 | HRH1 (0.47) | HRH1DRD2DRD1DRD4DRD5 | |
| SCHEMBL25216672 | 0.80 | HRH1 (0.47) | HRH1DRD2DRD1DRD4DRD5 | |
| SCHEMBL14778493 | 0.73 | KMT2A (0.47) | ALDH1A1SMN1; SMN2LMNAF2HTR6 | |
| SCHEMBL17646489 | 0.73 | CA12 (0.39) | ALDH1A1CYP1A2CYP3A4L3MBTL1SMN1; SMN2 | |
| SCHEMBL17646488 | 0.73 | CA12 (0.39) | ALDH1A1CYP1A2CYP3A4L3MBTL1SMN1; SMN2 | |
| SCHEMBL17646490 | 0.73 | CA12 (0.39) | ALDH1A1CYP1A2CYP3A4L3MBTL1SMN1; SMN2 |
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-112166106-B | Cancer metastasis inhibitors by inhibiting cancer cell migration and invasion | VS药物技术公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-112166106-A | Cancer metastasis inhibitors by inhibiting cancer cell migration and invasion | 韩国生命工学硏究院 | 2021-01-01 | — | — | CN | disclosed |